SCHEMBL12642987

SCHEMBL12642987

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 17/20 0.58
P2RX7 Q99572 2/20 0.49
IL1B P01584 1/20 0.49
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
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 SCHEMBL2040199 0.99 TPSAB1 (0.57) TPSAB1P2RX7IL1BKDM4EMEN1
SCHEMBL12695225 0.91 TPSAB1 (0.58) TPSAB1KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL12542840 0.91 TPSAB1 (0.57) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12643032 0.91 TPSAB1 (0.57) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12542975 0.90 TPSAB1 (0.56) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12695217 0.90 TPSAB1 (0.56) TPSAB1KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL2042068 0.90 TPSAB1 (0.56) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12642950 0.89 TPSAB1 (0.57) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12643008 0.89 TPSAB1 (0.56) TPSAB1KDM4EMEN1ALDH1A1GLA
Hydrochloric Acid SCHEMBL12543393 0.89 TPSAB1 (0.56) TPSAB1KDM4EMEN1ALDH1A1GLA

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 1/4885P2RX7 250/4885IL1B 2128/4885

“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.