SCHEMBL12643136

SCHEMBL12643136

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 7/20 0.48
GLA P06280 6/20 0.48
HPGD P15428 6/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
P2RX7 Q99572 5/20 0.43
IL1B P01584 4/20 0.43
PKM P14618 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL12643148 0.99 NPSR1 (0.51) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL2039992 0.91 HTT (0.48) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL2038550 0.84 NPSR1 (0.54) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL12697362 0.84 NPSR1 (0.54) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL2041723 0.83 NPSR1 (0.56) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL12643149 0.81 CNR2 (0.44) P2RX7IL1BCNR1CNR2POLB
SCHEMBL2039777 0.80 NPSR1 (0.52) NPSR1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL2034386 0.77 CNR1 (0.47) ALDH1A1P2RX7IL1BCNR1CNR2
SCHEMBL12642978 0.76 POLB (0.48) ALDH1A1HPGDP2RX7IL1BCNR1
SCHEMBL2034023 0.76 NPSR1 (0.57) NPSR1HSD17B10ALDH1A1KDM4EGAA

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 2 patents. 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
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 NPSR1 49/4885HSD17B10 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.