SCHEMBL785702

SCHEMBL785702

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)Nc3ccc(Cl)cc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
USP30 Q70CQ3 2/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 5/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
WDR5 P61964 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL785270 0.94 F10 (0.42) F10RAB9ACNR1TRPV1FPR1
SCHEMBL785814 0.92 TAS1R3 (0.44) F10TRPV1TLR9TLR8TLR7
SCHEMBL785137 0.91 F10 (0.40) F10RAB9ATRPV1FPR1FPR2
SCHEMBL785862 0.90 ALDH1A1 (0.42) F10TRPV1TAS1R3TAS1R1MAPT
SCHEMBL785944 0.89 TRPV1 (0.41) F10TRPV1TLR9TLR8TLR7
SCHEMBL785571 0.88 F10 (0.41) F10TRPV1FPR1FPR2TLR9
SCHEMBL784884 0.88 TRPV1 (0.41) F10RAB9ANPC1USP30TRPV1
SCHEMBL784725 0.88 F10 (0.40) F10TRPV1TLR9TLR8TLR7
SCHEMBL784935 0.88 F10 (0.43) F10CNR1TLR9TLR8TLR7
SCHEMBL784712 0.87 EPHX2 (0.44) F10CNR1TRPV1TLR9TLR8

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 4 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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 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 F10 524/4885RAB9A 1673/4885NPC1 2033/4885

“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.