SCHEMBL4023253

SCHEMBL4023253

CC1(C)Oc2ccc(C#N)cc2[C@H]2O[C@H]21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 18/20 0.56
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6273195 1.00 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL482249 1.00 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL9363607 1.00 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL481900 1.00 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL9371324 1.00 ABCB1 (0.56) ABCB1KDM4E
Hydrazinecarboxamide SCHEMBL9398507 0.87 ABCC9 (0.50) ABCB1KDM4E
SCHEMBL9767316 0.83 ABCB1 (0.46) ABCB1KDM4E
SCHEMBL9040308 0.81 ABCB1 (0.39) ABCB1KDM4E
SCHEMBL9040304 0.81 ABCB1 (0.39) ABCB1KDM4E
SCHEMBL9765458 0.81 ABCB1 (0.43) ABCB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430621-A2 Process for the preparation of chiral 3,4-epoxy benzopyrans Beecham Group p.l.c. (GB) 1991-06-05 EP claimed
EP-1499610-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2009-01-21 EP disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
US-7041700-B2 Substituted benzopyran derivatives against arrhythmia NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-09 US disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
US-20040152763-A1 Substituted benzopyran derivatives against arrhythmia NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-08-05 US disclosed
US-5629429-A Process for preparing 4-arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-05-13 US disclosed
US-5453421-A Aryl and heterocyclic substituted propenamide derivatives E. R. SQUIBB & SONS, INC. (US) 1995-09-26 US disclosed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed
US-5393771-A 4-substituted benzopyran and related compounds BRISOL-MYERS SQUIBB COMPANY (US) 1995-02-28 US disclosed
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0624581-A2 4-Substituted benzopyran and related compounds useful as pharmaceutical agents BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-17 EP disclosed
EP-0587188-A2 Aryl and heterocyclic substituted propenamide derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 EP disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 EP disclosed
WO-1993004182-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY BENZOPYRANS AND PYRANOPYRIDINES BY A MICROBIAL EPOXIDASE SMITHKLINE BEECHAM PLC (GB) 1993-03-04 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 (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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 ABCB1 1370/4885KDM4E 936/4885
US-20040152763-A1 Substituted benzopyran derivatives against arrhythmia CBR1, KCNH1, SCN8A ABCB1 214/4885KDM4E 3555/4885

“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.