SCHEMBL9891836

SCHEMBL9891836

CC(C)(C)C1C[C@@H](O)CN1c1ccnc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
MTOR P42345 3/20 0.41
PIK3CA P42336 2/20 0.39
MGLL Q99685 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
CHRNA7 P36544 1/20 0.37

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
SCHEMBL9891831 0.87 SORD (0.46)
SCHEMBL9893154 0.85 ACACB (0.45) ACACBMTORPIK3CAPIK3CDPIK3R1
SCHEMBL9893036 0.83 ACACB (0.44) ACACBMTORPIK3CAPIK3CDPIK3R1
SCHEMBL9892342 0.82 ACACB (0.48) ACACBMTORPIK3CAPIK3CD
SCHEMBL3702197 0.80 ACACB (0.46) ACACBMTORPIK3CAMGLLCHRNA7
SCHEMBL9891829 0.75 HRH4 (0.37)
SCHEMBL2569083 0.74 CNR2 (0.47)
SCHEMBL5485306 0.74 PIK3CA (0.49) ACACBMTORPIK3CAPIK3CDPIK3R1
SCHEMBL5457199 0.72 PIK3CA (0.55) ACACBMTORPIK3CAPIK3CDPIK3R1
SCHEMBL16480420 0.71 SORD (0.54)

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 ACACB 1735/4885MTOR 2112/4885PIK3CA 1165/4885

“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.