SCHEMBL8036170

SCHEMBL8036170

COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C3

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 7/20 0.82
KDR P35968 1/20 0.75
TRPV1 Q8NER1 2/20 0.57
CFTR P13569 4/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
RECQL P46063 1/20 0.56
PMP22 Q01453 1/20 0.56
USP2 O75604 1/20 0.56
CYP2C9 P11712 1/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56

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
SCHEMBL5372790 0.90 BAZ2B (0.67) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL14521748 0.88 BAZ2B (0.65) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL8401917 0.87 BAZ2B (0.64) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL8111047 0.87 BAZ2B (0.64) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL17037446 0.86 BAZ2B (0.62) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL21588257 0.85 BAZ2B (0.61) BAZ2BKDRTRPV1CFTRHDAC1
SCHEMBL1867588 0.82 BAZ2B (0.81) BAZ2BKDRTRPV1LMNA
SCHEMBL997329 0.82 TRPV1 (0.67) BAZ2BKDRTRPV1
SCHEMBL997366 0.81 TRPV1 (0.66) BAZ2BKDRTRPV1HDAC1HDAC6
SCHEMBL12083125 0.81 CYP1A2 (0.78) BAZ2BKDRHDAC1HDAC6CYP1A2

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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 BAZ2B 1775/4885KDR 4855/4885TRPV1 2797/4885

“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.