SCHEMBL803516

SCHEMBL803516

COC(=O)c1ccc2c(c1)[C@H](NC(=O)CC1CCCC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
ALDH1A1 P00352 3/20 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
SCHEMBL803696 0.89 KMT2A (0.46) NAMPTKMT2AMAPTMEN1CYP3A4
SCHEMBL803506 0.89 KMT2A (0.46) NAMPTKMT2AMAPTMEN1CYP3A4
SCHEMBL785411 0.87 NAMPT (0.49) NAMPTKMT2ACYP3A4HPGDCYP2C19
SCHEMBL785515 0.87 NAMPT (0.49) NAMPTKMT2ACYP3A4HPGDCYP2C19
SCHEMBL803556 0.82 KMT2A (0.47) KMT2AMAPTMEN1HPGDTAS1R3
SCHEMBL2820245 0.82 KMT2A (0.47) KMT2AMAPTMEN1HPGDTAS1R3
SCHEMBL803580 0.82 CA12 (0.50) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL803551 0.81 ALDH1A1 (0.52) KMT2AMAPTMEN1NPC1TAS1R3
SCHEMBL14996320 0.81 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4CYP2C19
SCHEMBL803536 0.81 KMT2A (0.49) KMT2AMAPTMEN1NPC1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 NAMPT 3344/4885KMT2A 2222/4885MAPT 3149/4885

“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.