SCHEMBL459487

SCHEMBL459487

Cn1nnnc1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLG P00747 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 1/20 0.33
OPRL1 P41146 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2C P28335 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
Hydrochloric Acid SCHEMBL16992170 0.98 MEN1 (0.50) MEN1KMT2APLGGABRA1GABRB2
SCHEMBL12255495 0.89 MEN1 (0.38) MEN1KMT2AHTR2C
SCHEMBL16362466 0.80 GAA (0.38) ALDH1A1ADORA2AADORA2B
SCHEMBL16336123 0.77 OPRL1 (0.32) OPRL1KCNH2ALDH1A1
SCHEMBL16336124 0.77 OPRL1 (0.32) OPRL1KCNH2ALDH1A1
SCHEMBL4142598 0.77 MEN1 (0.41) MEN1KMT2AGABRA1GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL21774836 0.76 OPRL1 (0.31) OPRL1KCNH2
Hydrochloric Acid SCHEMBL21774838 0.76 OPRL1 (0.31) OPRL1KCNH2
SCHEMBL1514757 0.76 MEN1 (0.39) MEN1KMT2AHRH3SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL20292137 0.75 MEN1 (0.43) MEN1KMT2APLGGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 US disclosed
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
US-9926297-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-9926297-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-20120252778-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 US disclosed
US-20120252778-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 US disclosed
US-20120252778-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 US disclosed
WO-2012131633-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 WO disclosed
WO-2012131633-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 WO disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 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 (9 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 MEN1 709/4885KMT2A 643/4885PLG 4824/4885
US-20120252778-A1 PYRAZOLO PYRIMIDINE DERIVATIVES THPO, P2RX3, P2RX5 MEN1 4318/4885KMT2A 4263/4885PLG 604/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 MEN1 657/4885KMT2A 578/4885PLG 4833/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 MEN1 639/4885KMT2A 692/4885PLG 4819/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 MEN1 709/4885KMT2A 643/4885PLG 4824/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 MEN1 4791/4885KMT2A 4265/4885PLG 2239/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 MEN1 709/4885KMT2A 643/4885PLG 4824/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 MEN1 639/4885KMT2A 692/4885PLG 4819/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 MEN1 657/4885KMT2A 578/4885PLG 4833/4885

“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.