SCHEMBL1986366

SCHEMBL1986366

COCCn1cc(C(=O)C(F)(F)F)c2cccc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.47
CNR2 P34972 5/20 0.47
CNR1 P21554 5/20 0.47
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TPSAB1 Q15661 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 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
SCHEMBL2052293 0.88 TPSAB1 (0.54) IDO1CNR2CNR1HTTLMNA
SCHEMBL1983582 0.86 CNR2 (0.49) CNR2CNR1ATMLMNATPSAB1
SCHEMBL1986391 0.86 IDO1 (0.48) IDO1CNR2CNR1HTTLMNA
SCHEMBL2037383 0.85 LMNA (0.44) IDO1CNR2CNR1HTTLMNA
SCHEMBL1275917 0.84 IDO1 (0.43) IDO1CNR2CNR1HTTATM
SCHEMBL2035456 0.83 TPSAB1 (0.48) IDO1CNR2CNR1HTTLMNA
SCHEMBL6871390 0.82 CHRM1 (0.42) IDO1CNR2CNR1HTTKDM4E
SCHEMBL2036395 0.81 TPSAB1 (0.47) IDO1CNR2CNR1HTTLMNA
SCHEMBL2041383 0.81 P2RX7 (0.54) IDO1CNR2CNR1LMNAPOLB
SCHEMBL1996828 0.80 CNR2 (0.39) CNR2CNR1LMNAKDM4ETPSAB1

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 8 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-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079103-A1 SPIROPIPERIDINE 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
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 IDO1 9/4885CNR2 113/4885CNR1 160/4885

“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.