SCHEMBL12643140

SCHEMBL12643140

COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2c(C(=O)N3CCOCC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 15/20 0.55
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40

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 SCHEMBL2052005 0.99 TPSAB1 (0.55) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643008 0.93 TPSAB1 (0.56) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12695239 0.92 TPSAB1 (0.55) TPSAB1HSD17B10KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL2036713 0.92 TPSAB1 (0.55) TPSAB1HSD17B10KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL2043017 0.92 TPSAB1 (0.54) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643098 0.92 TPSAB1 (0.57) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643133 0.91 TPSAB1 (0.51) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12695225 0.91 TPSAB1 (0.58) TPSAB1HSD17B10KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL2054393 0.90 TPSAB1 (0.51) TPSAB1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643032 0.90 TPSAB1 (0.57) TPSAB1HSD17B10KDM4EALDH1A1GLA

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 1/4885HSD17B10 3797/4885KDM4E 801/4885

“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.