SCHEMBL12695124

SCHEMBL12695124

COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2cccc(OC(F)(F)F)c21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 20/20 0.61
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
Hydrochloric Acid SCHEMBL2040048 0.99 TPSAB1 (0.60) TPSAB1CYP2C9CYP2C19KCNH2
Hydrochloric Acid SCHEMBL12543454 0.93 TPSAB1 (0.56) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12643122 0.92 TPSAB1 (0.59) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12643064 0.92 TPSAB1 (0.60) TPSAB1
SCHEMBL12695184 0.92 TPSAB1 (0.50) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12695198 0.91 TPSAB1 (0.51) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12642974 0.91 TPSAB1 (0.60) TPSAB1CYP2C9CYP2C19KCNH2
Hydrochloric Acid SCHEMBL2044380 0.91 TPSAB1 (0.49) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12695204 0.91 TPSAB1 (0.52) TPSAB1CYP2C9CYP2C19KCNH2
SCHEMBL12643130 0.91 TPSAB1 (0.57) TPSAB1

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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 TPSAB1 1/4885CYP2C9 800/4885CYP2C19 346/4885

“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.