SCHEMBL725812

SCHEMBL725812

ClCCCCCn1ccc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.82
CCND1 P24385 4/20 0.82
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
LMNA P02545 1/20 0.50
P2RX7 Q99572 1/20 0.50
ABCB1 P08183 1/20 0.49

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
SCHEMBL5660775 1.00 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5661674 0.98 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL725795 0.93 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30672971 0.93 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29379265 0.85 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3330892 0.85 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL24398975 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL1293253 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL19748097 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL9702210 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA

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-2560955-B1 NOVEL BENZAMIDE DERIVATIVES DONG A PHARM CO LTD (KR) 2016-06-29 EP disclosed
US-9221790-B2 Benzamide derivatives DONG-A PHARM. CO., LTD. (KR) 2015-12-29 US disclosed
US-20130085160-A1 NOVEL BENZAMIDE DERIVATIVES DONG-A PHARM. CO., LTD. (KR) 2013-04-04 US disclosed
EP-2560955-A2 NOVEL BENZAMIDE DERIVATIVES Dong-A Pharm.Co., Ltd. (KR) 2013-02-27 EP disclosed
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US disclosed
WO-2011132901-A2 NOVEL BENZAMIDE DERIVATIVES DONG-A PHARM.CO., LTD. (KR) 2011-10-27 WO disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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 (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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A CDK4 3516/4885CCND1 2188/4885HTR2A 1/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R CDK4 3729/4885CCND1 2685/4885HTR2A 91/4885
US-20130085160-A1 NOVEL BENZAMIDE DERIVATIVES HTR4, GPR4, HTR5A CDK4 909/4885CCND1 1779/4885HTR2A 16/4885

“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.