SCHEMBL9891829

SCHEMBL9891829

CNc1nccc(N2C[C@H](O)CC2C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.37
HRH3 Q9Y5N1 5/20 0.37
CCNC P24863 5/20 0.36
CDK8 P49336 5/20 0.36
IDH1 O75874 2/20 0.35
SYK P43405 1/20 0.35
CDK2 P24941 2/20 0.34
CDC7 O00311 1/20 0.34
CYP2C9 P11712 1/20 0.34
CCNE1 P24864 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL16480460 0.83 CCNC (0.38) HRH4CCNCCDK8SYKCDK2
SCHEMBL9893112 0.81 HRH4 (0.38) HRH4HRH3CCNCCDK8SYK
SCHEMBL9103207 0.79 ITGB2 (0.41) HRH4HRH3CCNCCDK8SYK
SCHEMBL9891837 0.76 GPR119 (0.38)
SCHEMBL9891831 0.76 SORD (0.46) HRH4HRH3
SCHEMBL9891836 0.75 ACACB (0.43)
SCHEMBL9892047 0.72 CNR2 (0.47) CYP2C9
SCHEMBL15360084 0.70 HRH4 (0.54) HRH4HRH3CCNCCDK8
SCHEMBL15360082 0.70 HRH4 (0.50) HRH4HRH3CCNCCDK8
SCHEMBL9891828 0.68 MAPT (0.43) HRH3

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HRH4 128/4885HRH3 236/4885CCNC 1428/4885

“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.