SCHEMBL3660587

SCHEMBL3660587

O=C1c2ccccc2C(=O)N1CC1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
ALDH1A1 P00352 13/20 0.76
KDM4E B2RXH2 5/20 0.76
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
HSD17B10 Q99714 1/20 0.70
NPC1 O15118 3/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
S1PR4 O95977 1/20 0.60
MAPT P10636 1/20 0.60
S1PR1 P21453 1/20 0.60
RAB9A P51151 2/20 0.60
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL21640458 0.95 CYP1A2 (0.91) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL25690608 0.92 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL499818 0.92 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL28562135 0.92 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL31258922 0.92 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL17196907 0.87 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4256711 0.87 ALDH1A1 (1.00) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2355777 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2308910 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL18688563 0.83 ALDH1A1 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 US disclosed
EP-2285366-B1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NAT RECH SCIENT (FR) 2015-02-25 EP disclosed
US-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-26 US disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
EP-1771435-A4 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RES INST (US) 2008-02-13 EP disclosed
EP-1771435-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS Human Biomolecular Research Institute (US) 2007-04-11 EP disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
WO-2006025920-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2006-03-09 WO disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP disclosed
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
US-6583317-B1 Amination with hexamethylenetetramine; hydrolysis with an inorganic acid MIDWEST RESEARCH INSTITUTE 2003-06-24 US disclosed
WO-2002032852-A2 SYNTHESIS OF ACID ADDITION SALT OF DELTA-AMINOLEVULINIC ACID FROM 5-BROMO LEVULINIC ACID ESTERS MIDWEST RESEARCH INSTITUTE (US) 2002-04-25 WO disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
US-5907058-A Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters MIDWEST RESEARCH INSTITUTE (US) 1999-05-25 US disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed
EP-0483714-B1 A method of preparing an acid additional salt of delta-aminolevulinic acid JAPAN TOBACCO INC (JP) 1995-05-03 EP disclosed
US-5284973-A Method of preparing an acid additional salt of delta-aminolevulinic acid JAPAN TOBACCO INC. (JP) 1994-02-08 US disclosed
EP-0483714-A1 A method of preparing an acid additional salt of delta-aminolevulinic acid Japan Tobacco Inc. (JP) 1992-05-06 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 (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-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 CYP1A2 1849/4885CYP2C9 1195/4885CYP2C19 1009/4885
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR CYP1A2 405/4885CYP2C9 1218/4885CYP2C19 417/4885

“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.