SCHEMBL2470140

SCHEMBL2470140

NCC1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2B P41595 19/20 1.00
HTR2A P28223 14/20 1.00
MAOB P27338 2/20 1.00
SLC6A4 P31645 3/20 0.64
SLC6A3 Q01959 3/20 0.64
SLC6A2 P23975 2/20 0.64

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
SCHEMBL4144327 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL4129782 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL13742111 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4140547 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4135406 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4135410 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL5680153 0.83 HTR2C (0.70) HTR2CHTR2BHTR2AMAOBSLC6A3
SCHEMBL15590759 0.80 MAOB (0.67) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL23191934 0.79 HTR2C (0.66) HTR2CHTR2BHTR2AMAOBSLC6A3
SCHEMBL14708135 0.78 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
CN-113277974-B 2-phenylcyclopropylmethylamine derivative, and preparation method and use thereof 上海科技大学 2023-04-07 CN disclosed
EP-0747348-A1 AMINOALKYLCYCLOPROPANE DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1996-12-11 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP HTR2C 3276/4885HTR2B 4289/4885HTR2A 4192/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 HTR2C 2340/4885HTR2B 913/4885HTR2A 289/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HTR2C 4191/4885HTR2B 4506/4885HTR2A 4609/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE HTR2C 2790/4885HTR2B 2732/4885HTR2A 3270/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 HTR2C 3853/4885HTR2B 2603/4885HTR2A 2298/4885

“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.