SCHEMBL5626798

SCHEMBL5626798

CCCNCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.50
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL11922715 0.98 SAT1 (0.48) SAT1GNAI3GNAO1GNAI1ADH1B
SCHEMBL24296754 0.98 SAT1 (0.48) SAT1GNAI3GNAO1GNAI1ADH1B
SCHEMBL8393600 0.98 SAT1 (0.48) SAT1GNAI3GNAO1GNAI1ADH1B
SCHEMBL26507012 0.95
Hydrochloric Acid SCHEMBL5379319 0.93 GNAI3 (0.48) SAT1GNAI3GNAO1GNAI1ADH1B
SCHEMBL95570 0.90
SCHEMBL11420212 0.90 SAT1 (0.60) SAT1GNAI3GNAO1GNAI1EPHX1
Hydrochloric Acid SCHEMBL6609960 0.87
SCHEMBL11922714 0.86 SAT1 (0.57) SAT1GNAI3GNAO1GNAI1ADH1B
SCHEMBL17355046 0.85 SAT1 (0.61) SAT1GNAI3GNAO1GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020191252-A1 TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-09-24 WO disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
US-9685562-B2 Semiconductor device, power diode, and rectifier SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-06-20 US disclosed
CN-103102303-B As the benzyl amine derivative of CETP inhibitor DR. REDDY'S LABORATORIES LTD. (IN) 2015-10-28 CN disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
EP-1615925-B1 IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS IPSEN PHARMA (FR) 2009-05-27 EP disclosed
CN-101443006-A Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC (US) 2009-05-27 CN disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-1848430-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Reddy US Therapeutics, Inc. (US) 2007-10-31 EP disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 EP disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 US disclosed
WO-2006073973-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2006-07-13 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 (6 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP SAT1 341/4885GNAI3 775/4885GNAO1 793/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 SAT1 168/4885GNAI3 1654/4885GNAO1 1375/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R SAT1 1428/4885GNAI3 549/4885GNAO1 859/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI SAT1 298/4885GNAI3 1010/4885GNAO1 934/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 SAT1 736/4885GNAI3 580/4885GNAO1 712/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC SAT1 87/4885GNAI3 2126/4885GNAO1 1376/4885

“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.