SCHEMBL2033720

SCHEMBL2033720

OCCn1ccc2cccc(OC(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
ERBB2 P04626 3/20 0.38
ERBB3 P21860 3/20 0.38
ERBB4 Q15303 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
SCN9A Q15858 3/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GBA1 P04062 1/20 0.32
SCN5A Q14524 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
P2RX3 P56373 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL2036078 0.89 EGFR (0.42) EGFRERBB2ERBB3ERBB4TRPV1
SCHEMBL12601214 0.85 GRM2 (0.38) TRPV1HCRTR1HCRTR2MAPTCDK4
SCHEMBL12543430 0.84 SCN9A (0.38) TRPV1SCN9AMAPT
SCHEMBL12543524 0.84 CDK4 (0.36) TRPV1SCN9ACDK4CCND1
SCHEMBL12543158 0.83 CNR2 (0.41) TRPV1MAPTCDK4CCND1
SCHEMBL27189532 0.74 MAPT (0.44) MAPT
SCHEMBL30954326 0.74 MAPT (0.44) MAPT
SCHEMBL27893632 0.72 HCAR1 (0.37) SCN9AHCRTR1HCRTR2RXRARXRB
SCHEMBL2040320 0.71 P2RX7 (0.48) HEXAHEXBHCRTR2CDK4CCND1
SCHEMBL2036957 0.70 RORC (0.43) SCN9AMAPTRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
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 EGFR 1733/4885ERBB2 810/4885ERBB3 2482/4885

“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.