SCHEMBL9893026

SCHEMBL9893026

CC1(C)CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HSD11B1 P28845 1/20 0.41
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
ALDH1A1 P00352 2/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP11B2 P19099 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHKA P35790 1/20 0.36
AR P10275 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 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
SCHEMBL9892344 0.82 CNR1 (0.46) CNR1CNR2HSD11B1SLC6A3SLC6A4
SCHEMBL9893168 0.81 CNR1 (0.42) CNR1CNR2HSD11B1SLC6A3SLC6A4
SCHEMBL9891846 0.81 CNR1 (0.42) CNR1CNR2HSD11B1SLC6A3SLC6A4
SCHEMBL9103491 0.79 CNR1 (0.56) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL9103501 0.79 CNR1 (0.56) CNR1CNR2HSD11B1NR1H2NR1H3
SCHEMBL16480421 0.77 CNR1 (0.41) CNR1CNR2HSD11B1SLC6A3SLC6A4
SCHEMBL9893003 0.76 CNR1 (0.51) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL22455050 0.76 AR (0.47) HSD11B1ALDH1A1AROPRM1OPRL1
SCHEMBL27744781 0.74 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL15115344 0.73 CYP3A4 (0.44) CNR1CNR2HSD11B1AKR1C3CYP11B2

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 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.