SCHEMBL4820686

SCHEMBL4820686

O=Cc1cc2ncccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ERN1 O75460 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
NCOA1 Q15788 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL29935718 1.00 CYP2A6 (0.52) CYP2A6CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL28428414 0.74 CHRM2 (0.55) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL24777358 0.73 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8275384 0.71 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14811086 0.71 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18660627 0.71 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL4723565 0.71 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2913826 0.71 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14377332 0.71 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL24776908 0.71 CHRNB2 (0.35) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712653-B Isosorbide-5-Nitrae-the dihydrogen pyridine derivative of furopyridyl-replacement and using method thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-21 CN claimed
US-20260035358-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2026-02-05 US disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
CN-102712653-B Isosorbide-5-Nitrae-the dihydrogen pyridine derivative of furopyridyl-replacement and using method thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-21 CN disclosed
WO-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 WO disclosed
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 US disclosed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 US disclosed
US-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 US disclosed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 US disclosed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 US disclosed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 US disclosed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 US disclosed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 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-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 CYP2A6 4425/4885CHRNB2 4257/4885CHRNA4 4770/4885
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 CYP2A6 615/4885CHRNB2 715/4885CHRNA4 866/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 CYP2A6 431/4885CHRNB2 595/4885CHRNA4 986/4885
US-20260035358-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF CRBN, WEE1, WEE2 CYP2A6 4605/4885CHRNB2 563/4885CHRNA4 808/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC CYP2A6 461/4885CHRNB2 580/4885CHRNA4 1072/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2A6 1010/4885CHRNB2 388/4885CHRNA4 459/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 CYP2A6 615/4885CHRNB2 715/4885CHRNA4 866/4885

“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.