SCHEMBL725795

SCHEMBL725795

ClCCCn1ccc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.78
CCND1 P24385 4/20 0.78
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
LMNA P02545 1/20 0.53
HTR6 P50406 1/20 0.50
P2RX7 Q99572 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCB1 P08183 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL30672971 1.00 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5661674 0.94 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5660775 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL725812 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3330892 0.88 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29379265 0.88 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL11366447 0.83 CDK4 (1.00) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL945970 0.81 CDK4 (0.71) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL4863420 0.81 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL135070 0.81 CDK4 (0.78) 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285512-A 2, 5-diketopiperazine-imidazole compound, preparation method and application thereof 大连万众益生大健康有限公司 2023-12-26 CN disclosed
CN-106045894-A 3(4)-Substituted alkoxyphenoxy hydrocarbon PPAR (peroxisome proliferator-activated receptor) agonist and application thereof 天津医科大学 2016-10-26 CN disclosed
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
CN-102844301-B Novel benzamide derivatives DONG A PHARM CO LTD 2015-04-22 CN 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
CN-102844301-A Novel benzamide derivatives DONG A PHARM CO LTD 2012-12-26 CN 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-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 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 (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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A CDK4 3516/4885CCND1 2188/4885HTR2A 1/4885
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.