SCHEMBL9891837

SCHEMBL9891837

CC(C)(C)C1C[C@@H](O)CN1c1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
GRM1 Q13255 1/20 0.36
CNR2 P34972 1/20 0.34
SORD Q00796 1/20 0.33
CHRM1 P11229 1/20 0.33
PIK3CD O00329 1/20 0.32
CHRM4 P08173 1/20 0.30
CYP2D6 P10635 1/20 0.30
DPP4 P27487 1/20 0.30
KCNH2 Q12809 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
RPS6KA5 O75582 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 0.81 GRM1 (0.43) GPR119GRM1SORDPIK3CDCHRM4
SCHEMBL9893053 0.78 SORD (0.37) GPR119GRM1CNR2SORDCHRM1
SCHEMBL9891829 0.76 HRH4 (0.37)
SCHEMBL29182035 0.76 GPR119 (0.38) GPR119GRM1CNR2CHRM1PIK3CD
SCHEMBL9108658 0.74 GAA (0.45) GPR119GRM1SORDCHRM1PIK3CD
SCHEMBL9891828 0.74 MAPT (0.43) CNR2
SCHEMBL9891883 0.74 MAPT (0.43) CNR2
SCHEMBL29995236 0.73 SORD (0.45) GPR119GRM1SORDCHRM1PIK3CD
SCHEMBL9891831 0.72 SORD (0.46) SORDCYP2D6
SCHEMBL9891836 0.71 ACACB (0.43) PIK3CD

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-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

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 GPR119 237/4885GRM1 308/4885CNR2 1/4885

“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.