SCHEMBL7562491

SCHEMBL7562491

CCOC(=O)CC(NC(=O)c1ccc(-n2cnc3c2CCCC3)c(C(F)(F)F)c1)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ROCK2 O75116 2/20 0.38
CNR2 P34972 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KCNK3 O14649 1/20 0.34
NAMPT P43490 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7563382 0.88 F2 (0.43) TAAR1ROCK2CNR2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6937677 0.87 F2 (0.43) TAAR1ROCK2CNR2ITGB3ITGA2B
SCHEMBL7560820 0.78 ROCK2 (0.39) TAAR1ROCK2ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7561461 0.77 ITGB3 (0.40) ITGB3ITGA2BF2F10
SCHEMBL5101089 0.71 CYP11B2 (0.43) GABRG2GABRB3GABRA5
SCHEMBL6939984 0.71 ROCK2 (0.38) TAAR1ROCK2CNR2ITGB3ITGA2B
SCHEMBL6350201 0.70 ROCK2 (0.42) ROCK2ITGB3ITGA2BF2F10
SCHEMBL6943416 0.70 F10 (0.41) TAAR1ROCK2CNR2ITGB3ITGA2B
SCHEMBL5103961 0.69 RORC (0.39)
SCHEMBL2990398 0.66 F7 (0.35) TAAR1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 TAAR1 651/4885ROCK2 3365/4885CNR2 793/4885

“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.