SCHEMBL1986300

SCHEMBL1986300

NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CO)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL1988289 0.93 ALDH1A1 (0.44) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL12563350 0.92 CYP2C19 (0.43) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1989867 0.91 CYP2C19 (0.42) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1985661 0.88 CYP2C19 (0.40) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1989388 0.85 CNR1 (0.49) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1986178 0.85 CNR1 (0.42) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL12563354 0.85 CNR1 (0.54) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1987486 0.84 CNR1 (0.49) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1992594 0.84 CNR1 (0.43) CYP2C19USP2ALDH1A1KDM4EGLA
SCHEMBL1988253 0.83 CNR1 (0.43) CYP2C19USP2ALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150165275-A1 INJECTION MOLDABLE COMPOSITIONS AND GOLF BALLS PREPARED THEREFROM TAYLOR MADE GOLF COMPANY, INC. (US) 2015-06-18 US disclosed
US-8992341-B2 Injection moldable compositions and golf balls prepared therefrom TAYLOR MADE GOLF COMPANY, INC. (US) 2015-03-31 US disclosed
US-20140187352-A1 GOLF BALL COMPOSITIONS TAYLOR MADE GOLF COMPANY, INC. (US) 2014-07-03 US disclosed
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 US disclosed
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 US disclosed
US-8552120-B2 Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-10-08 US disclosed
US-20110159991-A1 GOLF BALL COMPOSITION TAYLOR MADE GOLF COMPANY, INC. 2011-06-30 US disclosed
US-20110152008-A1 INJECTION MOLDABLE COMPOSITIONS AND GOLF BALLS PREPARED THEREFROM TAYLOR MADE GOLF COMPANY, INC. 2011-06-23 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20100081770-A1 GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-04-01 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 (1 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-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CYP2C19 678/4885USP2 4018/4885ALDH1A1 2707/4885

“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.