SCHEMBL1722292

SCHEMBL1722292

Fc1ccc(CCCCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
MAOB P27338 2/20 0.45
IDO1 P14902 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
AOC3 Q16853 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 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
SCHEMBL6224187 0.93 TAAR1 (0.50) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL28709923 0.87 MAOB (0.40) TAAR1MAOBPTGS1PTGS2HTR2A
SCHEMBL6614163 0.85 MAOB (0.52) TAAR1MAOBSIGMAR1HTR1ADRD2
SCHEMBL990098 0.84 TAAR1 (0.56) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL2320532 0.84 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10574057 0.84 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL11287580 0.83 TAAR1 (0.42) TAAR1MAOBIDO1CYP19A1SIGMAR1
Hydrochloric Acid SCHEMBL13518531 0.82 TAAR1 (0.54) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10571903 0.81 TAAR1 (0.59) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL9190069 0.79 CA1 (0.39) TAAR1MAOBPTGS1PTGS2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118105390-A Method for treating addiction 细胞内治疗公司 2024-05-31 CN disclosed
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 EP disclosed
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 US disclosed
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 US disclosed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
CN-102369188-A Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH 2012-03-07 CN disclosed
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
US-5281601-A Imide substituted indoline derivatives PFIZER INC. (US) 1994-01-25 US disclosed
EP-0572952-A1 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1993-12-08 EP disclosed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 WO disclosed
WO-1991009015-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 US disclosed
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed
US-4051190-A MANUFACTURE OF 3-ARYLPROPYL CHLORIDE ABBOTT LABORATORIES (US) 1977-09-27 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-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 TAAR1 1486/4885MAOB 263/4885IDO1 1097/4885
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF TFRC, PCBP1, FECH TAAR1 696/4885MAOB 210/4885IDO1 1229/4885

“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.