SCHEMBL12643000

SCHEMBL12643000

NCc1ccc(F)c(C2CCN(C(=O)c3cn(CCOC(F)(F)F)c4cccc(Br)c34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 20/20 0.49
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL12643095 0.93 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2036955 0.92 TPSAB1 (0.50) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12643114 0.91 TPSAB1 (0.56) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL12543714 0.90 TPSAB1 (0.55) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL2035713 0.89 TPSAB1 (0.41) TPSAB1
SCHEMBL12642993 0.89 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2043045 0.88 TPSAB1 (0.50) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12643088 0.87 TPSAB1 (0.61) TPSAB1
SCHEMBL12642996 0.87 TPSAB1 (0.46) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12643096 0.87 TPSAB1 (0.46) TPSAB1KCNH2CYP2C9CYP2C19

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 3 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
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO 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 1/4885KCNH2 874/4885CYP2C9 800/4885

“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.