SCHEMBL3890880

SCHEMBL3890880

CC(C)(C)CNCc1cc(C(=O)NCC(C)(C)C)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 3/20 0.53
NAMPT P43490 1/20 0.41
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
DDR1 Q08345 1/20 0.40
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL3894629 0.80 CNR2 (0.57) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL4876419 0.79 CNR2 (0.57) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL4884688 0.77 CNR2 (0.55) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL4882979 0.75 CNR2 (0.53) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL4876418 0.75 CNR2 (0.53) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL17865785 0.75 ADORA2A (0.59) CNR2CNR1NAMPTADORA2AALDH1A1
SCHEMBL3893570 0.74 MAPT (0.57) CNR2CNR1ALDH1A1HPGDLMNA
SCHEMBL22040703 0.72 HDAC1 (0.60) CNR2CNR1NAMPTADORA2AHDAC3
SCHEMBL29836705 0.72 L3MBTL1 (0.67) CNR2CNR1ALDH1A1HPGDLMNA
SCHEMBL18652182 0.71 HDAC6 (0.55) CNR2CNR1NAMPTADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 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-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK7 CNR2 989/4885CNR1 932/4885NAMPT 1971/4885

“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.