SCHEMBL785808

SCHEMBL785808

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1c(Cl)cccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
LCK P06239 3/20 0.38
ROCK2 O75116 1/20 0.36
CCR5 P51681 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPY5R Q15761 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL784116 0.91 F10 (0.37) F10ROCK2CCR5MCHR1NPY5R
SCHEMBL785441 0.91 LCK (0.38) F10LCKCCR5MCHR1JAK2
SCHEMBL785876 0.90 F10 (0.41) F10LCKNPY5RJAK2JAK1
SCHEMBL785803 0.89 USP30 (0.45) F10NPY5RJAK2JAK1USP30
SCHEMBL785223 0.87 F10 (0.43) F10NPY5RUSP30
SCHEMBL785496 0.86 F10 (0.39) F10ROCK2CCR5MCHR1USP30
SCHEMBL785416 0.86 HPGD (0.44) F10CCR5MCHR1USP30
SCHEMBL785154 0.86 HPGD (0.44) F10CCR5MCHR1USP30
SCHEMBL784348 0.84 F10 (0.39) F10CCR5MCHR1JAK2JAK1
SCHEMBL785828 0.84 MCHR1 (0.40) F10ROCK2CCR5MCHR1JAK2

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 524/4885LCK 2969/4885ROCK2 3995/4885

“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.