SCHEMBL784476

SCHEMBL784476

CN(C(=O)c1ccc2c(c1)CC[C@H]2N1Cc2cccc(Cl)c2C1=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.37
KCNH2 Q12809 1/20 0.37
GHSR Q92847 2/20 0.37
MALT1 Q9UDY8 2/20 0.37
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TIPARP Q7Z3E1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AVPR1A P37288 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL803394 0.92 OPRD1 (0.39) OPRD1KCNH2TIPARPKDM4EALDH1A1
SCHEMBL785735 0.88 BDKRB1 (0.43) GHSRADORA2AADORA1
SCHEMBL784220 0.86 PARP1 (0.38)
SCHEMBL784812 0.84 PARP1 (0.47)
SCHEMBL784121 0.83 BDKRB1 (0.42) GHSRADORA2AADORA1JAK2JAK1
SCHEMBL784213 0.82 OPRM1 (0.42) OPRD1GHSRLMNA
SCHEMBL785396 0.82 TAF1 (0.39) GHSRSMN1; SMN2ADORA2AADORA1JAK2
SCHEMBL785310 0.79 MAPT (0.36)
SCHEMBL783628 0.78 TAF1 (0.38) ADORA2AADORA1JAK2JAK1
SCHEMBL784312 0.77 GHSR (0.32) GHSR

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 OPRD1 18/4885KCNH2 77/4885GHSR 600/4885

“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.