SCHEMBL784909

SCHEMBL784909

CN(C(=O)NC1CC(C)(C)c2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
NPY5R Q15761 6/20 0.34
USP30 Q70CQ3 1/20 0.33
PDK2 Q15119 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL785136 0.88 F10 (0.38) F10JAK2JAK1CCR5NPY5R
SCHEMBL785090 0.88 BDKRB1 (0.40) F10CCR5ALDH1A1ALOX15PDK2
SCHEMBL783957 0.87 TRPV1 (0.40) F10JAK2JAK1CCR5ALDH1A1
SCHEMBL785879 0.86 CTSS (0.42) F10JAK2JAK1CCR5ALDH1A1
SCHEMBL785132 0.85 F10 (0.38) F10JAK2JAK1CCR5ALDH1A1
SCHEMBL784908 0.85 MAPT (0.38) F10JAK2JAK1CCR5ROCK2
SCHEMBL785606 0.85 F10 (0.36) F10JAK2JAK1CCR5ALDH1A1
SCHEMBL785712 0.85 F10 (0.37) F10JAK2CCR5ALDH1A1ALOX15
SCHEMBL784500 0.85 ALDH1A1 (0.39) F10JAK2JAK1CCR5ALDH1A1
SCHEMBL785791 0.85 ALDH1A1 (0.41) F10JAK2JAK1CCR5ALDH1A1

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.