SCHEMBL785136

SCHEMBL785136

CN(C(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
CCR5 P51681 1/20 0.36
CTSS P25774 1/20 0.36
NPY5R Q15761 5/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
RIPK1 Q13546 1/20 0.35
MCHR1 Q99705 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
SCHEMBL785879 0.95 CTSS (0.42) F10JAK2JAK1CCR5CTSS
SCHEMBL785594 0.94 F10 (0.38) F10JAK2JAK1CCR5NPY5R
SCHEMBL785530 0.91 JAK2 (0.37) F10JAK2JAK1CTSSNPY5R
SCHEMBL785326 0.90 F10 (0.38) F10JAK2JAK1CTSSNPY5R
SCHEMBL784909 0.88 F10 (0.37) F10JAK2JAK1CCR5NPY5R
SCHEMBL784261 0.87 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1
SCHEMBL777867 0.87 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1
SCHEMBL784081 0.87 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1
SCHEMBL785033 0.87 F10 (0.41) F10CTSSNPY5R
SCHEMBL784693 0.87 F10 (0.38) F10JAK2JAK1CCR5NPY5R

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 524/4885JAK2 1298/4885JAK1 1517/4885

“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.