SCHEMBL444522

SCHEMBL444522

O=C(O)C1CCCNCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.81
GABRP O00591 1/20 0.81
GABRD O14764 1/20 0.81
GABRA1 P14867 1/20 0.81
GABRB1 P18505 1/20 0.81
GABRG2 P18507 1/20 0.81
GABRB3 P28472 1/20 0.81
GABRA5 P31644 1/20 0.81
GABRA3 P34903 1/20 0.81
GABRA2 P47869 1/20 0.81
GABRB2 P47870 1/20 0.81
GABRA4 P48169 1/20 0.81
GABRE P78334 1/20 0.81
PMP22 Q01453 1/20 0.81
GABRA6 Q16445 1/20 0.81
GABRG1 Q8N1C3 1/20 0.81
GABRG3 Q99928 1/20 0.81
GABRQ Q9UN88 1/20 0.81
SLC6A1 P30531 2/20 0.68
SLC6A11 P48066 1/20 0.68

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
SCHEMBL13406399 1.00 TSHR (0.81) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL13406400 1.00 TSHR (0.81) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL12471116 0.98 TSHR (0.77) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL13406402 0.95 SLC6A1 (0.74) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL13406403 0.93 TSHR (0.77) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL30712114 0.92 TSHR (0.68) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL2027408 0.90 TSHR (1.00) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL104297 0.90
Isonipecotic Acid SCHEMBL23043998 0.87 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL1703706 0.87 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
CN-110446495-B Delta opioid receptor modulating compounds containing 7-membered aza heterocycles and methods of use and preparation thereof 特维娜有限公司 2023-09-05 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
CN-101001854-A Highly selective novel amidation method TAKEDA PHARMACEUTICAL (JP) 2007-07-18 CN disclosed
CN-1942463-A 2-aminopyridine derivative ASTELLAS PHARMA INC (JP) 2007-04-04 CN disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 WO 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 (7 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR TSHR 10/4885GABRP 96/4885GABRD 292/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TSHR 2355/4885GABRP 1026/4885GABRD 1964/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 638/4885GABRP 470/4885GABRD 2565/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY TSHR 1811/4885GABRP 2517/4885GABRD 2834/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 TSHR 1567/4885GABRP 2870/4885GABRD 3570/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 TSHR 1567/4885GABRP 2870/4885GABRD 3570/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S TSHR 2487/4885GABRP 2269/4885GABRD 1520/4885

“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.