SCHEMBL2040903

SCHEMBL2040903

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
TBXAS1 P24557 7/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CNR1 P21554 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 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
SCHEMBL2040980 0.88 S1PR1 (0.44) CNR2TBXAS1KDM4ELMNAHTT
SCHEMBL2042192 0.87 ALDH1A1 (0.46) CNR2LMNACNR1
SCHEMBL26581453 0.86 KDM4E (0.52) CNR2KDM4ELMNAHTTKDM4C
SCHEMBL2034732 0.80 ALDH1A1 (0.48) CNR2LMNACNR1
SCHEMBL2038034 0.79 ALDH1A1 (0.46) CNR2CNR1
SCHEMBL26581458 0.78 CNR1 (0.48) CNR2KDM4ELMNAKDM4CCNR1
SCHEMBL2037642 0.78 CNR2 (0.46) CNR2CNR1
SCHEMBL2035737 0.76 ALDH1A1 (0.48) CNR2KDM4EKDM4CCNR1
SCHEMBL2040702 0.76 S1PR1 (0.53) CNR2KDM4ELMNAHTTCNR1
SCHEMBL2037965 0.74 TBXAS1 (0.50) TBXAS1KDM4E

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 5 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

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 CNR2 113/4885TBXAS1 521/4885KDM4E 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.