SCHEMBL9891844

SCHEMBL9891844

CC(C)(C)C1CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CNR1 P21554 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
AR P10275 1/20 0.37
BACE1 P56817 1/20 0.37
HTR2C P28335 1/20 0.37
PDE2A O00408 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
SCHEMBL9891821 0.80 CNR2 (0.43) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL16480461 0.80 AR (0.50) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL24775523 0.80 LMNA (0.44) KMT2AMAPTL3MBTL1
SCHEMBL9891843 0.78 CNR2 (0.50) CNR2CNR1CYP2C19KMT2AMEN1
SCHEMBL18013246 0.76 BRD4 (0.50) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL21136651 0.76 BRD4 (0.50) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL9892989 0.76 FPR1 (0.44) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL30075720 0.75 MAOA (0.47) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL16253027 0.75 CNR2 (0.44) CNR2CYP2C8CNR1CYP2C19MAPT
SCHEMBL28515773 0.74 DPP4 (0.47) CNR2CYP2C8CYP2D6CNR1CYP2C19

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 CNR2 1/4885CYP2C8 807/4885CYP2D6 1472/4885

“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.