SCHEMBL785529

SCHEMBL785529

CN(C(=O)c1ccc2c(c1)C(NC(=O)NCc1ccccc1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
PRMT3 O60678 1/20 0.37
ROCK2 O75116 4/20 0.36
OPRM1 P35372 1/20 0.36
F10 P00742 2/20 0.35
CTSS P25774 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
KCNA5 P22460 1/20 0.35
NAMPT P43490 1/20 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
SCHEMBL784571 0.93 TRPV1 (0.41) TRPV1PRMT3ROCK2F10
SCHEMBL785135 0.91 POLB (0.39) POLBMAPTKDM4EJAK2JAK1
SCHEMBL784649 0.88 TAS1R3 (0.41) TRPV1JAK2JAK1PRMT3CTSS
SCHEMBL785714 0.88 TRPV1 (0.38) TRPV1JAK2JAK1PRMT3F10
SCHEMBL785325 0.87 SMN1; SMN2 (0.41) TRPV1POLBMAPTKDM4EJAK2
SCHEMBL784402 0.87 CTSS (0.40) JAK2JAK1F10CTSS
SCHEMBL785878 0.87 CTSS (0.40) TRPV1POLBMAPTKDM4EJAK2
SCHEMBL784714 0.86 TRPV1 (0.42) TRPV1JAK2JAK1PRMT3
SCHEMBL785530 0.85 JAK2 (0.37) JAK2JAK1F10CTSSMRGPRX2
SCHEMBL785593 0.85 GHSR (0.40) TRPV1POLBMAPTKDM4EJAK2

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 TRPV1 21/4885POLB 3355/4885MAPT 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.