SCHEMBL2424591

SCHEMBL2424591

c1ccc2c(c1)ccn2C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
ABCB1 P08183 1/20 0.48
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
SCD O00767 3/20 0.44
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 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
SCHEMBL3640167 0.98 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL12605572 0.94 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL367111 0.90 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29423860 0.90 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15856591 0.85 OPRM1 (0.47) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15856596 0.85 OPRM1 (0.46) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL17222487 0.85 OPRM1 (0.47) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL17222489 0.85 OPRM1 (0.47) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL1239171 0.81 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6744630 0.81 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322132-B N-substituted indole compound and synthesis method thereof 陕西科技大学 2024-05-28 CN disclosed
CN-115322132-A N-substituted indole compound and synthetic method thereof 陕西科技大学 2022-11-11 CN disclosed
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
EP-2049480-B1 2-ARYLINDOLE DERIVATIVES AS mPGES-1 INHIBITORS ACRAF (IT) 2013-10-30 EP disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
CN-101490000-B 2-Arylindole derivatives as mPGEs-1 inhibitors ACRAF 2012-10-03 CN disclosed
CN-101974004-A Heterocyclic compound and preparation method thereof UNIV SUZHOU 2011-02-16 CN disclosed
US-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2009-07-23 US disclosed
CN-101490000-A 2-arylindole derivatives as NPGES-1 inhibitors ACRAF (IT) 2009-07-22 CN disclosed
EP-2049480-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-04-22 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
WO-2008006663-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-01-17 WO disclosed
EP-0541720-A4 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES 1993-09-01 EP disclosed
EP-0541720-A1 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-05-19 EP disclosed
WO-1992002480-A1 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 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 (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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 DRD2 4809/4885SLC6A4 2364/4885OPRM1 1054/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 DRD2 4809/4885SLC6A4 2364/4885OPRM1 1054/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 DRD2 4809/4885SLC6A4 2364/4885OPRM1 1054/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 DRD2 4809/4885SLC6A4 2364/4885OPRM1 1054/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 DRD2 4809/4885SLC6A4 2364/4885OPRM1 1054/4885
US-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS PTGES, NAT1, CSNK1G2 DRD2 466/4885SLC6A4 2059/4885OPRM1 80/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 DRD2 381/4885SLC6A4 527/4885OPRM1 31/4885

“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.