SCHEMBL4372633

SCHEMBL4372633

COC(=O)c1cc(-c2cc(C(F)(F)F)ccc2Cl)n(CC2(C)CCCO2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CFTR P13569 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CRHR1 P34998 1/20 0.33
FTO Q9C0B1 1/20 0.33
MCL1 Q07820 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4367893 0.90 CNR1 (0.46) CNR1MRGPRX4POLBL3MBTL1HCRTR1
SCHEMBL4367898 0.90 CNR1 (0.46) CNR1MRGPRX4POLBL3MBTL1HCRTR1
SCHEMBL4367901 0.90 CNR1 (0.46) CNR1MRGPRX4POLBL3MBTL1HCRTR1
SCHEMBL4372051 0.79 CNR1 (0.54) CNR1CRHR1TSHR
SCHEMBL4371268 0.79 CNR1 (0.54) CNR1CRHR1TSHR
SCHEMBL4372621 0.69 CNR1 (0.56) CNR1KDM4EHPGDMAPTHTT
SCHEMBL4372616 0.69 CNR1 (0.56) CNR1KDM4EHPGDMAPTHTT
SCHEMBL4369412 0.68 CNR1 (0.49) CNR1KDM4EHPGDALDH1A1CRHR1
SCHEMBL3916541 0.67 CNR1 (0.73) CNR1CRHR1
SCHEMBL4371262 0.67 CNR1 (0.61) CNR1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 CNR1 1/4885CFTR 1082/4885MRGPRX4 207/4885

“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.