SCHEMBL4204671

SCHEMBL4204671

Cc1cccc(COc2ccc(C#N)cc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.67
AR P10275 2/20 0.50
ICMT O60725 1/20 0.47
SLC6A4 P31645 1/20 0.46
GRM5 P41594 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HTR6 P50406 2/20 0.45
MAOB P27338 1/20 0.43

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
SCHEMBL31568445 0.89 MRGPRX4 (0.76) MRGPRX4SLC6A4GRM5PDCD1CD274
SCHEMBL22469778 0.89 MRGPRX4 (0.76) MRGPRX4SLC6A4GRM5PDCD1CD274
SCHEMBL4197074 0.85 MRGPRX4 (0.71) MRGPRX4ARSLC6A4
SCHEMBL26162620 0.81 MRGPRX4 (0.68) MRGPRX4MAOB
SCHEMBL22480554 0.81 MRGPRX4 (1.00) MRGPRX4SLC6A4GRM5
SCHEMBL23235825 0.80 MAOB (0.65) GRM5MAOB
SCHEMBL22481083 0.80 MRGPRX4 (1.00) MRGPRX4
SCHEMBL22480884 0.79 MRGPRX4 (1.00) MRGPRX4
SCHEMBL12173115 0.79 MRGPRX4 (0.58) MRGPRX4MAOB
SCHEMBL14854689 0.78 MRGPRX4 (0.76) MRGPRX4SLC6A4PDCD1CD274HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 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 (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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG MRGPRX4 1139/4885AR 1/4885ICMT 4223/4885

“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.