SCHEMBL3851665

SCHEMBL3851665

CCCOc1ncc(C(=O)O)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.47
SRD5A2 P31213 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
MARS1 P56192 1/20 0.40

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
SCHEMBL2701799 0.83 CNR1 (0.57) CNR1KMT2A
SCHEMBL15662131 0.81 KMT2A (0.45) KDM4CKMT2AMRGPRX4MAPT
SCHEMBL1377786 0.78 CNR1 (0.80) CNR1
SCHEMBL411087 0.76 CNR1 (0.51) CNR1
SCHEMBL2703056 0.75 CNR1 (0.63) CNR1
SCHEMBL21078819 0.74 KMT2A (0.46) KDM4CTP53KMT2AMAPT
SCHEMBL4807298 0.74 CNR1 (0.54) CNR1SRD5A2KDM4CMARS1
SCHEMBL16113447 0.73 KMT2A (0.45) KDM4CALDH1A1KMT2AMAPT
SCHEMBL11452714 0.73 CYP1A2 (0.45) ALDH1A1KMT2ADHODH
SCHEMBL14928310 0.73 KMT2A (0.45) KDM4CKMT2AMAPT

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
EP-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US disclosed
US-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US disclosed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 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-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists CNR1, CNR2, GPR119 CNR1 1/4885SRD5A2 2911/4885KDM4C 979/4885

“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.