SCHEMBL9893053

SCHEMBL9893053

CCC1C[C@@H](O)CN1c1ccncn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.37
GRM1 Q13255 1/20 0.36
GPR119 Q8TDV5 1/20 0.33
CHRM4 P08173 1/20 0.33
PIK3CD O00329 1/20 0.33
GSK3B P49841 1/20 0.32
CNR2 P34972 1/20 0.32
CHRM1 P11229 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
RPS6KA5 O75582 1/20 0.31
SLC6A2 P23975 1/20 0.30
CHI3L1 P36222 1/20 0.30
CCNA2 P20248 1/20 0.30
CCNO P22674 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL16480435 0.82 GRM1 (0.43) SORDGRM1GPR119CHRM4PIK3CD
SCHEMBL9891837 0.78 GPR119 (0.38) SORDGRM1GPR119CHRM4PIK3CD
SCHEMBL9108658 0.75 GAA (0.45) SORDGRM1GPR119PIK3CDCHRM1
SCHEMBL9893112 0.75 HRH4 (0.38)
SCHEMBL29995236 0.74 SORD (0.45) SORDGRM1GPR119CHRM4PIK3CD
SCHEMBL14775587 0.73 SORD (0.34) SORDGRM1GPR119CHRM4CNR2
SCHEMBL9892972 0.72 SMN1; SMN2 (0.44)
SCHEMBL9893158 0.72 SMN1; SMN2 (0.44)
SCHEMBL29525850 0.71 AURKA (0.42) SORDPIK3CD
SCHEMBL9892999 0.71 SORD (0.47) SORD

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-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 SORD 4445/4885GRM1 308/4885GPR119 237/4885

“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.