SCHEMBL4790435

SCHEMBL4790435

Cc1cccc(C2=CCNCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.66
SIGMAR1 Q99720 2/20 0.65
QDPR P09417 3/20 0.54
KHK P50053 2/20 0.52
HTR7 P34969 3/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL30431801 1.00 HTR2C (0.66) HTR2CSIGMAR1QDPRKHKHTR7
Hydrochloric Acid SCHEMBL9311920 0.98 HTR2C (0.67) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL14904894 0.90 HTR2C (0.54) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL15804315 0.85 HTR7 (0.48) HTR2CSIGMAR1KHKHTR7
SCHEMBL5319444 0.82 SIGMAR1 (0.57) HTR2CSIGMAR1QDPRKHKHTR6
SCHEMBL4791120 0.81 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRKHKHTR7
SCHEMBL7955514 0.80 QDPR (0.55) HTR2CSIGMAR1QDPRKHK
SCHEMBL4671168 0.80 HTR2C (0.66) HTR2CSIGMAR1QDPRKHKHTR7
Hydrochloric Acid SCHEMBL4793458 0.79 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR7HTR6
SCHEMBL21228136 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPR

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
WO-2017038909-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 WO disclosed
US-9273040-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
WO-2013063459-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-7297799-B2 Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
US-4914094-A CARBOSTYRIC OR BENZOXAZINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
EP-0226441-A2 Preparation of pharmaceutical compositions for the treatment of hypoxia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed
US-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US 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-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, SCN1A, CACNA1E HTR2C 476/4885SIGMAR1 663/4885QDPR 1646/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HTR2C 222/4885SIGMAR1 243/4885QDPR 91/4885

“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.