Isoguvacine

Isoguvacine

SCHEMBL15260680

O=C(O)C1=CCNCC1.[Cl-].[H+]

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Isoguvacine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.92
GABRR1 P24046 2/20 0.92
GABRP O00591 1/20 0.92
GABRD O14764 1/20 0.92
GABRA1 P14867 1/20 0.92
GABRB1 P18505 1/20 0.92
GABRG2 P18507 1/20 0.92
GABRB3 P28472 1/20 0.92
GABRA5 P31644 1/20 0.92
GABRA3 P34903 1/20 0.92
GABRA2 P47869 1/20 0.92
GABRB2 P47870 1/20 0.92
GABRA4 P48169 1/20 0.92
GABRE P78334 1/20 0.92
GABRA6 Q16445 1/20 0.92
GABRG1 Q8N1C3 1/20 0.92
GABRG3 Q99928 1/20 0.92
GABRQ Q9UN88 1/20 0.92
BLM P54132 3/20 0.88
LMNA P02545 2/20 0.88

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isoguvacine SCHEMBL339700 0.96
Isoguvacine SCHEMBL6214170 0.94 TSHR (0.96) TSHRGABRR1GABRPGABRDGABRA1
Isoguvacine SCHEMBL7958625 0.94 BLM (1.00) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL9568927 0.80 TSHR (0.72) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL2032868 0.77
SCHEMBL29439268 0.77 TSHR (0.67) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL9497437 0.77
Hydrochloric Acid SCHEMBL5249049 0.75 BLM (0.68) TSHRGABRR1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL14311854 0.75 BLM (0.68) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL29439332 0.73 GABRR1 (0.62) TSHRGABRR1GABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872200-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
US-20210205248-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-08 US disclosed
US-10952980-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-23 US disclosed
EP-3753410-A2 COMBINATIONS COMPRISING GABA AGONISTS IN TREATMENT OF HYPERGLYCEMIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-23 EP disclosed
EP-2621282-B1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES UNIV CALIFORNIA (US) 2020-04-15 EP disclosed
US-20200030272-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-30 US disclosed
US-10434078-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-08 US disclosed
US-20180193295-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-12 US disclosed
US-9820955-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-21 US disclosed
US-20160081956-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-24 US disclosed
US-9089531-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-28 US disclosed
US-20130251671-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210205248-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-20180193295-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-20160081956-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-10434078-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-11872200-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-20130251671-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-20200030272-A1 GABA AGONISTS IN THE TREATMENT OF DISORDERS ASSOCIATED WITH METABOLIC SYNDROME AND GABA COMBINATIONS IN TREATMENT OR PROPHYLAXIS OF TYPE I DIABETES GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885
US-10952980-B2 GABA agonists in the treatment of disorders associated with metabolic syndrome and GABA combinations in treatment or prophylaxis of type I diabetes GABRA4, GPR119, GABRG3 TSHR 226/4885GABRR1 26/4885GABRP 19/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.