SCHEMBL15045828

SCHEMBL15045828

CCc1cn(C)c2ccccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.61
HTR2A P28223 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CA2 P00918 1/20 0.50
PTPN5 P54829 1/20 0.49
LMNA P02545 2/20 0.49
IMPDH2 P12268 1/20 0.49
KDM4E B2RXH2 2/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CMA1 P23946 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11066690 0.87 GPR84 (0.59) GPR84HTR2AALDH1A1CA2LMNA
SCHEMBL256689 0.86 GPR84 (0.74) GPR84HTR2AALDH1A1CA2PTPN5
SCHEMBL10589988 0.85 GPR84 (0.53) GPR84HTR2AALDH1A1CA2LMNA
Hydrochloric Acid SCHEMBL11062022 0.84 GPR84 (0.56) GPR84HTR2AALDH1A1CA2LMNA
SCHEMBL11065188 0.83 GPR84 (0.54) GPR84HTR2AALDH1A1CA2LMNA
SCHEMBL7321123 0.82 GPR84 (0.53) GPR84HTR2AALDH1A1CA2LMNA
SCHEMBL11071791 0.80 GPR84 (0.51) GPR84HTR2AALDH1A1CA2LMNA
SCHEMBL24199375 0.78 CNR2 (0.51) ALDH1A1LMNA
SCHEMBL11062682 0.78 GPR84 (0.49) GPR84HTR2AALDH1A1LMNAKDM4E
SCHEMBL13979671 0.77 BRD4 (0.56) GPR84MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 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 (2 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-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 GPR84 105/4885HTR2A 259/4885ALDH1A1 2432/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 GPR84 127/4885HTR2A 199/4885ALDH1A1 2453/4885

“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.