SCHEMBL785833

SCHEMBL785833

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
CRHR1 P34998 11/20 0.39
SMO Q99835 1/20 0.38
PDK2 Q15119 1/20 0.37
F10 P00742 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL785292 0.92 F10 (0.39) F10
SCHEMBL784113 0.89 BDKRB1 (0.40) F10
SCHEMBL784150 0.89 BDKRB1 (0.40) F10
SCHEMBL784229 0.89 TRPV1 (0.44) PTGDR2SMO
SCHEMBL785238 0.88 JAK2 (0.41) JAK2JAK1TYK2CRHR1SMO
SCHEMBL785312 0.87 P2RX7 (0.39) PTGDR2SMOPDK2F10
SCHEMBL785798 0.87 F10 (0.38) F10
SCHEMBL784158 0.86 CTSS (0.42) JAK2JAK1TYK2CRHR1PDK2
SCHEMBL785539 0.86 ROCK2 (0.37) SMOF10MCHR1
SCHEMBL27902576 0.86 SMO (0.39) SMOPDK2F10

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-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 JAK2 1298/4885JAK1 1517/4885TYK2 3974/4885

“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.