SCHEMBL1310133

SCHEMBL1310133

CC1CNCC(C)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
MAPT P10636 1/20 0.44
GBA1 P04062 1/20 0.42
FUCA1 P04066 2/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL17086789 1.00 HTR2C (0.50) HTR2CCHRM2CHRM4CHRM5ACHE
SCHEMBL20432699 1.00 HTR2C (0.50) HTR2CCHRM2CHRM4CHRM5ACHE
SCHEMBL1310132 1.00 HTR2C (0.50) HTR2CCHRM2CHRM4CHRM5ACHE
SCHEMBL20432698 1.00 HTR2C (0.50) HTR2CCHRM2CHRM4CHRM5ACHE
Hydrochloric Acid SCHEMBL3155670 0.98 CHRM2 (0.53) HTR2CCHRM2CHRM4CHRM5ACHE
Hydrochloric Acid SCHEMBL3155675 0.98 CHRM2 (0.53) HTR2CCHRM2CHRM4CHRM5ACHE
SCHEMBL20797832 0.82 CHRM2 (0.55) CHRM2CHRM4CHRM5ACHESIGMAR1
SCHEMBL20811168 0.82 CHRM2 (0.55) CHRM2CHRM4CHRM5ACHESIGMAR1
SCHEMBL10077401 0.82 ACHE (0.55) CHRM2CHRM4CHRM5ACHESIGMAR1
SCHEMBL11144165 0.82 ACHE (0.55) CHRM2CHRM4CHRM5ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232584-B As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition 株式会社钟根堂 2019-06-28 CN disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP disclosed
US-9828393-B2 Silylalkyloxyaryl compounds and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-11-28 US disclosed
CN-106232584-A As the new compound of histone deacetylase 6 inhibitor and the pharmaceutical composition comprising it 株式会社钟根堂 2016-12-14 CN disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 WO disclosed
US-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2016-06-09 US disclosed
US-8575170-B2 Flurbiprofen analogs and methods of use in treating cancer THE REGENTS OF THE UNVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-11-05 US disclosed
US-20110275648-A1 FLURBIPROFEN ANALOGS AND METHODS OF USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2011-11-10 US disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 WO disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (5 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR2C 169/4885CHRM2 712/4885CHRM4 1210/4885
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 HTR2C 12/4885CHRM2 138/4885CHRM4 245/4885
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A HTR2C 10/4885CHRM2 312/4885CHRM4 508/4885
US-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER BCL3, MYLK2, BCL2L13 HTR2C 2347/4885CHRM2 2887/4885CHRM4 3622/4885
US-20110275648-A1 FLURBIPROFEN ANALOGS AND METHODS OF USE IN TREATING CANCER HCAR1, AADAC, AADAT HTR2C 878/4885CHRM2 1731/4885CHRM4 1682/4885

“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.