SCHEMBL785865

SCHEMBL785865

CC(C)(C)N(CC1CCN(c2ccncc2)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.44
ITGA2B P08514 8/20 0.44
LSS P48449 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
F10 P00742 3/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CHKA P35790 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL3644097 0.85 NOTUM (0.51) HRH3
SCHEMBL1353798 0.85 GFER (0.43)
SCHEMBL15990720 0.81 CA12 (0.43) F10
SCHEMBL3440218 0.77 CYP2C9 (0.45) ITGB3ITGA2BLSSHRH3F10
SCHEMBL1018020 0.77 ROCK2 (0.37)
SCHEMBL28179053 0.76 CHKA (0.48) ITGB3ITGA2BHRH3F10TSHR
SCHEMBL9462210 0.76 RBP4 (0.43) HRH3
SCHEMBL785159 0.75 F10 (0.51) ITGB3ITGA2BLSSHRH3F10
SCHEMBL2942824 0.75 ITGB3 (0.63) ITGB3ITGA2BLSSCHKA
SCHEMBL7334686 0.74 MAPT (0.54) ITGB3ITGA2BLSSHRH3F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGB3 2555/4885ITGA2B 1864/4885LSS 4086/4885

“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.