SCHEMBL1983582

SCHEMBL1983582

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
CNR1 P21554 5/20 0.49
CHRM1 P11229 1/20 0.48
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
P2RX7 Q99572 1/20 0.44
PCSK9 Q8NBP7 1/20 0.42
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL1986366 0.86 IDO1 (0.47) CNR2CNR1MAPTPOLBLMNA
SCHEMBL2038658 0.85 ALDH1A1 (0.54) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL2041249 0.85 CHRM1 (0.46) CNR2CNR1CHRM1MAPTPOLB
SCHEMBL2042835 0.84 CNR1 (0.46) CNR2CNR1MAPTNPSR1ALDH1A1
SCHEMBL2035808 0.84 CNR1 (0.44) CNR2CNR1MAPTALDH1A1P2RX7
SCHEMBL2036074 0.84 P2RX7 (0.47) CNR2CNR1MAPTALDH1A1P2RX7
SCHEMBL1275667 0.83 MAPT (0.41) CNR2CNR1CHRM1MAPTPOLB
SCHEMBL23809280 0.82 CNR1 (0.45) CNR2CNR1MAPTNPSR1ALDH1A1
SCHEMBL12484211 0.82 CHRM1 (0.53) CNR2CNR1CHRM1POLBLMNA
SCHEMBL1985481 0.82 ALDH1A1 (0.46) CNR2CNR1MAPTALDH1A1RORC

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 CNR2 113/4885CNR1 160/4885CHRM1 167/4885

“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.