SCHEMBL2332329

SCHEMBL2332329

N#Cc1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.56
MAOB P27338 1/20 0.56
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
XDH P47989 2/20 0.51
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48

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
SCHEMBL2530061 0.91 MRGPRX4 (0.53) MRGPRX4MAOBHTR2CSLC6A4HTR2B
SCHEMBL769653 0.86 XDH (0.57) MRGPRX4MAOBXDH
SCHEMBL10469104 0.82 MAOB (0.68) MAOBXDH
SCHEMBL379218 0.81 MAOB (0.60) MAOBXDH
SCHEMBL22937898 0.81 MRGPRX4 (0.71) MRGPRX4MAOB
SCHEMBL24969559 0.80 MAOB (0.60) MRGPRX4MAOBSLC6A4
SCHEMBL30152232 0.80 MAOB (0.60) MRGPRX4MAOBSLC6A4
SCHEMBL1331639 0.79 HTR2C (0.58) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL1330628 0.79 MAOB (0.62) MRGPRX4MAOBXDH
SCHEMBL18703359 0.79 MRGPRX4 (0.61) MRGPRX4HTR2CSLC6A4HTR2BRXRA

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-9040526-B2 Benzylpyrrolidinone derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-26 US disclosed
EP-2534158-B1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-2534158-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-11-22 US disclosed
WO-2011100227-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 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 (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-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 MRGPRX4 60/4885MAOB 4201/4885HTR2C 2362/4885

“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.