SCHEMBL2039992

SCHEMBL2039992

COCCn1cc(C=O)c2c(C(=O)N3CCOCC3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
HSD17B10 Q99714 7/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
GLA P06280 5/20 0.46
GAA P10253 5/20 0.46
HPGD P15428 5/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL12643136 0.91 NPSR1 (0.49) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL12643148 0.90 NPSR1 (0.51) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL2036243 0.85 HTT (0.50) HTTHSD17B10ALDH1A1KDM4EGLA
SCHEMBL2038185 0.78 HTT (0.54) HTTHSD17B10ALDH1A1KDM4EGLA
SCHEMBL12643149 0.78 CNR2 (0.44) CNR1CNR2
SCHEMBL12697362 0.75 NPSR1 (0.54) HTTHSD17B10ALDH1A1KDM4EGLA
SCHEMBL2038550 0.75 NPSR1 (0.54) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL2034386 0.74 CNR1 (0.47) ALDH1A1CNR1CNR2MAPT
SCHEMBL2041723 0.74 NPSR1 (0.56) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL12642978 0.74 POLB (0.48) HTTALDH1A1HPGDCNR1CNR2

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-2011079095-A1 PRODRUGS OF [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF 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 1251/4885HSD17B10 3797/4885ALDH1A1 752/4885

“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.