SCHEMBL4773684

SCHEMBL4773684

CCCC[Sn](CCCC)(CCCC)c1ccc2c(c1)CCC2=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD17B1 P14061 4/20 0.43
MAOB P27338 5/20 0.39
GRM5 P41594 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOA P21397 1/20 0.35
PRKCI P41743 1/20 0.35
PGR P06401 1/20 0.35
PBRM1 Q86U86 1/20 0.33

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
SCHEMBL23273181 0.91 MAOB (0.43) HSD17B1MAOBGRM5MAOAPRKCI
SCHEMBL3238273 0.73 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL4552528 0.72 CASP1 (0.46) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL8272631 0.72 MAOB (0.69) MAOBHRH3MAOA
SCHEMBL31277127 0.72 CRBN (0.31) GRM5
SCHEMBL16393904 0.72 RAB9A (0.46) CASP1CASP7HSD17B10
SCHEMBL2015419 0.71 GPR3 (0.46) CASP1CASP7HSD17B10HSD17B1
SCHEMBL14495944 0.71 GPR3 (0.46) CASP1CASP7HSD17B10HSD17B1
SCHEMBL1983658 0.70 TSHR (0.32) CYP1A2
SCHEMBL1539135 0.70 TAS1R3 (0.41) PRKCI

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CASP1 959/4885CASP7 930/4885HSD17B10 3854/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CASP1 1499/4885CASP7 1121/4885HSD17B10 3472/4885

“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.