SCHEMBL785441

SCHEMBL785441

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
F10 P00742 3/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
CCR5 P51681 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MCHR1 Q99705 1/20 0.35
BDKRB1 P46663 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SMO Q99835 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 0.94 F10 (0.37) F10JAK2JAK1CCR5MCHR1
SCHEMBL785223 0.91 F10 (0.43) F10RAB9ANPC1USP30
SCHEMBL785808 0.91 F10 (0.39) LCKF10JAK2JAK1CCR5
SCHEMBL785958 0.90 F10 (0.38) LCKF10JAK2JAK1RAB9A
SCHEMBL785416 0.87 HPGD (0.44) F10CCR5MCHR1BDKRB1USP30
SCHEMBL785154 0.87 HPGD (0.44) F10CCR5MCHR1BDKRB1USP30
SCHEMBL785803 0.87 USP30 (0.45) F10JAK2JAK1RAB9AUSP30
SCHEMBL784348 0.85 F10 (0.39) F10JAK2JAK1CCR5MCHR1
SCHEMBL785496 0.84 F10 (0.39) F10CCR5MCHR1BDKRB1USP30
SCHEMBL785511 0.84 TAS1R3 (0.52) JAK2JAK1

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 LCK 2969/4885F10 524/4885JAK2 1298/4885

“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.