SCHEMBL1120786

SCHEMBL1120786

Cc1[nH]c2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc2c1CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.45
GPR17 Q13304 3/20 0.45
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
MCL1 Q07820 3/20 0.40

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
SCHEMBL1120902 0.92 NR3C1 (0.42) NR3C1PGRNR3C2ARMCL1
SCHEMBL1120843 0.91 GPR17 (0.42) NR3C1GPR17PGRNR3C2AR
SCHEMBL1120828 0.87 NR3C1 (0.41) NR3C1PGRNR3C2ARMCL1
SCHEMBL1120802 0.86 NR3C1 (0.38) NR3C1PGRNR3C2ARMCL1
SCHEMBL1120907 0.85 ESR1 (0.41) NR3C1MCL1
SCHEMBL1120832 0.85 MCL1 (0.40) NR3C1MCL1
SCHEMBL1120796 0.85 NR3C1 (0.43) NR3C1GPR17PGRNR3C2AR
SCHEMBL1120793 0.85 NR3C1 (0.39) NR3C1GPR17PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120842 0.84 NR3C1 (0.43) NR3C1GPR17PGRNR3C2AR
SCHEMBL1120856 0.84 NR3C1 (0.40) NR3C1PGRNR3C2ARMCL1

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
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP claimed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US claimed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US claimed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP claimed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 NR3C1 498/4885GPR17 3093/4885PGR 2007/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R NR3C1 230/4885GPR17 746/4885PGR 885/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 NR3C1 301/4885GPR17 878/4885PGR 1513/4885

“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.