SCHEMBL10140846

SCHEMBL10140846

CC(=O)c1nn(C)c(-c2ccc(C)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.56
CNR1 P21554 1/20 0.47
IKBKB O14920 1/20 0.43

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
SCHEMBL10356261 0.75 GRM5 (0.45) GRM5CNR1
SCHEMBL30988460 0.75 GRM5 (0.59) GRM5CNR1
SCHEMBL14996604 0.74 GRM5 (0.43) GRM5CNR1
SCHEMBL10140850 0.73 ALDH1A1 (0.44) GRM5CNR1IKBKB
SCHEMBL11971249 0.73 SMN1; SMN2 (0.43) GRM5CNR1
SCHEMBL18355613 0.72 GRM5 (0.53) GRM5CNR1
SCHEMBL14996540 0.72 L3MBTL1 (0.44) GRM5CNR1
SCHEMBL12907742 0.71 CNR2 (0.69) CNR1
SCHEMBL1483029 0.71 CNR1 (0.48) GRM5CNR1
SCHEMBL280162 0.70 CSF1R (0.46) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 GRM5 4514/4885CNR1 2805/4885IKBKB 58/4885

“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.