SCHEMBL9891756

SCHEMBL9891756

CC(C)C1CCC(=O)N1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
IDH1 O75874 1/20 0.39
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 1/20 0.37
CYP3A4 P08684 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
DPP4 P27487 1/20 0.36
OPRL1 P41146 2/20 0.36
PDE2A O00408 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL9893123 0.84 HRH3 (0.43) HRH3CYP3A4PSEN1PSEN2APH1B
SCHEMBL3712840 0.78 CNR2 (0.43) HRH3CYP2C8CYP2C9CYP2C19CNR2
SCHEMBL2571560 0.78 CNR2 (0.43) HRH3CYP2C8CYP2C9CYP2C19CNR2
SCHEMBL9891783 0.75 CNR1 (0.51) HRH3NR1H2NR1H3IDH1CNR2
SCHEMBL9101843 0.75 HDAC6 (0.55) HRH3CYP2C8CYP2C9CYP2C19CNR2
SCHEMBL2571004 0.75 HDAC6 (0.55) HRH3CYP2C8CYP2C9CYP2C19CNR2
SCHEMBL9891755 0.75 LIPE (0.44)
SCHEMBL9891751 0.74 GAA (0.42)
SCHEMBL9891771 0.73 L3MBTL1 (0.36) IDH1CYP3A4
SCHEMBL9891753 0.73 L3MBTL1 (0.47)

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 HRH3 236/4885NR1H2 211/4885NR1H3 256/4885

“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.