SCHEMBL2035893

SCHEMBL2035893

COCCn1ccc2c(C(=O)O)cccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.54
CNR1 P21554 4/20 0.54
MCL1 Q07820 2/20 0.49
BAD Q92934 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCL2 P10415 1/20 0.44
PKM P14618 1/20 0.44
PTPN7 P35236 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15999011 0.92 CNR2 (0.56) CNR2CNR1MCL1BADALDH1A1
SCHEMBL15999013 0.91 CNR2 (0.52) CNR2CNR1MCL1BADALDH1A1
SCHEMBL1586499 0.90 CNR2 (0.46) CNR2CNR1MCL1BADALDH1A1
SCHEMBL2038160 0.87 CNR2 (0.53) CNR2CNR1MAPTTSHRL3MBTL1
SCHEMBL1586449 0.84 MAPT (0.59) MCL1BADALDH1A1MAPTTSHR
SCHEMBL1587303 0.83 MAPT (0.60) MCL1BADALDH1A1MAPTTSHR
SCHEMBL31133362 0.82 MCL1 (0.47) CNR2MCL1BADALDH1A1MAPT
SCHEMBL21818692 0.82 MCL1 (0.47) CNR2MCL1BADALDH1A1MAPT
SCHEMBL2034023 0.82 NPSR1 (0.57) CNR2CNR1ALDH1A1TSHRNPSR1
SCHEMBL6042188 0.81 CNR2 (0.70) CNR2CNR1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
CN-103917524-B Bicyclic heterocycles ASTELLAS PHARMA INC. (JP) 2016-05-04 CN disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
EP-2772484-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
CN-103917524-A Bicyclic heterocyclic compound ASTELLAS PHARMA INC 2014-07-09 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
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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 (3 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 CNR2 625/4885CNR1 453/4885MCL1 3714/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CNR2 135/4885CNR1 149/4885MCL1 4211/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 CNR2 113/4885CNR1 160/4885MCL1 4509/4885

“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.