SCHEMBL12697362

SCHEMBL12697362

COCCn1cc(OC)c2c(C(=O)N3CCCC3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 8/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
GLA P06280 6/20 0.49
GAA P10253 6/20 0.49
HPGD P15428 6/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 2/20 0.47
SCN9A Q15858 3/20 0.47
P2RX7 Q99572 2/20 0.45
IL1B P01584 1/20 0.45
PKM P14618 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 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
SCHEMBL2038550 0.86 NPSR1 (0.54) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2041723 0.85 NPSR1 (0.56) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643136 0.84 NPSR1 (0.49) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL12643148 0.84 NPSR1 (0.51) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2039777 0.82 NPSR1 (0.52) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2034023 0.78 NPSR1 (0.57) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2036243 0.77 HTT (0.50) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2033486 0.76 MCL1 (0.52) ALDH1A1KMT2AMEN1P2RX7IL1B
SCHEMBL2039992 0.75 HTT (0.48) NPSR1HSD17B10KDM4EALDH1A1GLA
SCHEMBL2035535 0.72 IDO1 (0.53) KMT2AMEN1P2RX7IL1BCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US 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 NPSR1 49/4885HSD17B10 3797/4885KDM4E 801/4885

“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.