SCHEMBL2040980

SCHEMBL2040980

Cc1cccc2c(C(=O)C(F)(F)F)cn(CCCc3cccnc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
CNR2 P34972 2/20 0.43
TPSAB1 Q15661 4/20 0.42
KDM4E B2RXH2 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ATM Q13315 1/20 0.39
TBXAS1 P24557 4/20 0.39
LMNA P02545 2/20 0.39
CNR1 P21554 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL2040903 0.88 CNR2 (0.46) CNR2KDM4EHDAC3HDAC4HDAC1
SCHEMBL2040702 0.87 S1PR1 (0.53) S1PR1CNR2TPSAB1KDM4ELMNA
SCHEMBL2043018 0.81 TPSAB1 (0.47) S1PR1CNR2TPSAB1KDM4EATM
SCHEMBL2040843 0.76 MEN1 (0.43) TPSAB1KDM4EATMTBXAS1LMNA
SCHEMBL2052293 0.75 TPSAB1 (0.54) CNR2TPSAB1KDM4ELMNACNR1
SCHEMBL2042192 0.75 ALDH1A1 (0.46) CNR2TPSAB1LMNACNR1
SCHEMBL2036748 0.74 TPSAB1 (0.45) TPSAB1KDM4EATMLMNACNR1
SCHEMBL26581453 0.74 KDM4E (0.52) CNR2KDM4ELMNACNR1HTT
SCHEMBL2038252 0.73 CNR1 (0.50) CNR2TPSAB1KDM4ELMNACNR1
SCHEMBL2041776 0.73 TPSAB1 (0.42) S1PR1TPSAB1KDM4ELMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
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
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
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 S1PR1 453/4885CNR2 113/4885TPSAB1 1/4885

“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.