SCHEMBL784112

SCHEMBL784112

CN(C(=O)c1ccc2c(c1)CCC2NC(=O)c1cc(F)ccc1Cl)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
PDE10A Q9Y233 3/20 0.38
NPY5R Q15761 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
ROCK2 O75116 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL784904 0.94 F10 (0.40) F10PDE10ANPY5RTAS1R3TAS1R1
SCHEMBL785698 0.91 TAS1R3 (0.44) F10TAS1R3TAS1R1TAS1R2
SCHEMBL785404 0.91 TAS1R3 (0.44) F10TAS1R3TAS1R1TAS1R2
SCHEMBL784390 0.89 CTSS (0.42) F10TAS1R3TAS1R1TAS1R2
SCHEMBL785681 0.88 TAS1R3 (0.42) F10TAS1R3TAS1R1TAS1R2ROCK2
SCHEMBL784449 0.87 F10 (0.43) F10NPY5R
SCHEMBL785292 0.85 F10 (0.39) F10NPY5RROCK2
SCHEMBL785238 0.85 JAK2 (0.41)
SCHEMBL785127 0.85 F10 (0.38) F10NPY5RTAS1R3TAS1R1ROCK2
SCHEMBL784276 0.85 F10 (0.39) F10NPY5R

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 3 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-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 524/4885PDE10A 589/4885NPY5R 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.