SCHEMBL785033

SCHEMBL785033

CN(C(=O)NC1CCCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.41
CTSS P25774 1/20 0.38
NPY5R Q15761 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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 0.92 CTSS (0.42) F10CTSSMEN1KMT2ASMN1; SMN2
SCHEMBL785136 0.87 F10 (0.38) F10CTSSNPY5R
SCHEMBL785701 0.87 TAS1R3 (0.41) F10CTSSMEN1KMT2ALMNA
SCHEMBL784572 0.86 F10 (0.39) F10CTSSNPY5R
SCHEMBL784713 0.86 F10 (0.42) F10NPY5R
SCHEMBL785726 0.85 TAS1R3 (0.41) F10CTSSMEN1KMT2ASMN1; SMN2
SCHEMBL785032 0.85 F10 (0.41) F10SMN1; SMN2LMNA
SCHEMBL785734 0.84 CTSS (0.44) F10CTSSSMN1; SMN2MAPT
SCHEMBL784957 0.82 CTSS (0.43) F10CTSSSMN1; SMN2LMNAMAPT
SCHEMBL784203 0.82 ALDH1A1 (0.51) CTSSMEN1KMT2ALMNA

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 524/4885CTSS 824/4885NPY5R 54/4885

“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.