SCHEMBL6833936

SCHEMBL6833936

CC(C)Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
TRPA1 O75762 1/20 0.44
ALB P02768 3/20 0.44
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK2 P24941 1/20 0.38
CCR9 P51686 1/20 0.38
F10 P00742 2/20 0.38
CCR2 P41597 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6833794 0.89 CNR2 (0.47) CNR2TRPA1ALBHTTTSHR
SCHEMBL6834434 0.87 CNR2 (0.50) CNR2TRPA1ALBHTTTSHR
SCHEMBL6834081 0.86 CCR2 (0.55) CNR2ALBCCR9F10CCR2
SCHEMBL6834180 0.85 CNR2 (0.53) CNR2TRPA1ALBHTTTSHR
SCHEMBL6835700 0.85 CNR2 (0.48) CNR2TRPA1ALBHTTTSHR
SCHEMBL6833926 0.85 ALB (0.46) CNR2TRPA1ALBHTTALDH1A1
SCHEMBL6833953 0.85 SERPINE1 (0.48) HTTTSHRALDH1A1F10CCR2
SCHEMBL6830678 0.85 AKR1C2 (0.48) CNR2HTTTSHRALDH1A1KMT2A
SCHEMBL6830403 0.85 CNR2 (0.55) CNR2TRPA1ALBHTTTSHR
SCHEMBL6833877 0.84 CNR2 (0.45) CNR2TRPA1ALBHTTTSHR

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CNR2 3495/4885TRPA1 377/4885ALB 1417/4885

“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.