SCHEMBL4145263

SCHEMBL4145263

CCC[C@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
MAPK14 Q16539 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
MAPT P10636 1/20 0.40
AR P10275 2/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR3 Q99500 1/20 0.39
PGR P06401 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4135704 1.00 MRGPRX4 (0.46) MRGPRX4PPARGPPARAMAPK14GPR88
SCHEMBL4133498 0.85 AR (0.47) PPARGPPARAARPGR
SCHEMBL4132662 0.85 AR (0.47) PPARGPPARAARPGR
SCHEMBL10634172 0.83 PPARG (0.46) MRGPRX4PPARGPPARAGPR88MAPT
SCHEMBL4142305 0.82 PPARG (0.56) MRGPRX4PPARGPPARAARCYP2D6
SCHEMBL4157932 0.82 PPARG (0.56) MRGPRX4PPARGPPARAARCYP2D6
SCHEMBL4139900 0.82 CTSD (0.43) PPARGPPARAMAPK14ALDH1A1
SCHEMBL13771938 0.81 KCNH2 (0.43) MRGPRX4MAPTARALDH1A1CYP2D6
SCHEMBL13771937 0.81 KCNH2 (0.43) MRGPRX4MAPTARALDH1A1CYP2D6
SCHEMBL13771936 0.80 HDAC8 (0.48) MAPTALDH1A1MEN1KMT2A

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-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US claimed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG MRGPRX4 1400/4885PPARG 173/4885PPARA 203/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG MRGPRX4 1400/4885PPARG 173/4885PPARA 203/4885

“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.