SCHEMBL785864

SCHEMBL785864

CC(C)(C)C(NC(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
SLC2A1 P11166 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
LSS P48449 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
CHKA P35790 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
SCHEMBL1353797 0.85 GFER (0.43)
SCHEMBL8698089 0.80 ITGB3 (0.43) ITGB3ITGA2BHRH3DPP4DPP8
SCHEMBL1018019 0.77 CNR1 (0.35) SLC2A1
SCHEMBL4435638 0.73 ITGB3 (0.46) ITGB3ITGA2BHRH3DPP4DPP8
SCHEMBL7334680 0.73 CHKA (0.52) ITGB3ITGA2BHRH3DPP4DPP8
SCHEMBL2520152 0.72 SMYD3 (0.32)
SCHEMBL2521767 0.72 PIM1 (0.40)
SCHEMBL27557817 0.72 ITGB3 (0.51) ITGB3ITGA2BHRH3HIF1ACYP2C9
SCHEMBL7015824 0.72 ITGB3 (0.51) ITGB3ITGA2BHRH3DPP4DPP8
SCHEMBL2524535 0.72 NOTUM (0.44)

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 1864/4885HRH3 9/4885

“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.