SCHEMBL9892344

SCHEMBL9892344

CC(C)(C)[C@]1(C)CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
HSD11B1 P28845 2/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
AKR1C3 P42330 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9893026 0.82 CNR1 (0.46) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL9891846 0.80 CNR1 (0.42) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL9893168 0.77 CNR1 (0.42) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL9103501 0.75 CNR1 (0.56) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL9103491 0.75 CNR1 (0.56) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL15115344 0.70 CYP3A4 (0.44) CNR1CNR2HSD11B1AKR1C3CYP11B2
SCHEMBL31506631 0.68 CNR1 (0.40) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL14637697 0.68 CYP3A4 (0.40) CNR1CNR2HSD11B1AKR1C3SLC6A3
SCHEMBL14638114 0.68 CYP3A4 (0.40) CNR1CNR2HSD11B1AKR1C3SLC6A3
SCHEMBL28842325 0.64 CA12 (0.56) AKR1C3KDM4EALDH1A1CA12CA2

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 CNR1 2/4885CNR2 1/4885HSD11B1 3537/4885

“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.