SCHEMBL2038185

SCHEMBL2038185

COCCn1ccc2c(C(=O)N3CCOCC3)cccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 6/20 0.48
GAA P10253 5/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
GLA P06280 4/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2034023 0.91 NPSR1 (0.57) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL2036243 0.80 HTT (0.50) HTTALDH1A1HSD17B10GAAKDM4E
SCHEMBL2035893 0.80 CNR2 (0.54) ALDH1A1NPSR1PKMCNR1CNR2
SCHEMBL20058392 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL1807857 0.79 KDM4E (0.45) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL2038160 0.79 CNR2 (0.53) GAANPSR1PKMCNR1CNR2
SCHEMBL2039992 0.78 HTT (0.48) HTTALDH1A1HSD17B10GAAKDM4E
SCHEMBL15997747 0.78 CNR1 (0.68) CNR1CNR2SMN1; SMN2
SCHEMBL15999011 0.75 CNR2 (0.56) HTTALDH1A1CNR1CNR2TSHR
SCHEMBL15999004 0.74 CNR1 (0.59) CNR1CNR2

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 6 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
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 HTT 1251/4885ALDH1A1 752/4885HSD17B10 3797/4885

“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.