SCHEMBL9891943

SCHEMBL9891943

O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
CNR1 P21554 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2C9 P11712 2/20 0.52
RHOC P08134 1/20 0.52
RHOA P61586 1/20 0.52
EPHX2 P34913 5/20 0.48
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
PORCN Q9H237 2/20 0.43

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
SCHEMBL9891962 0.93 CNR2 (0.53) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9892394 0.76 CNR2 (0.61) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9891942 0.74 CNR2 (0.59) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9892079 0.73 CCNE1 (0.54) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9893135 0.73 CNR2 (0.58) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9892078 0.73 CNR2 (0.57) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL13284761 0.73 CNR1 (0.55) CNR2CNR1EPHX2HCRTR1HCRTR2
SCHEMBL31188319 0.73 KMT2A (0.66) EPHX2MAPTTHRBMEN1TSHR
SCHEMBL9891976 0.72 CNR2 (0.54) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9103444 0.72 CNR2 (0.61) CNR2CNR1CYP2C19CYP2C8CYP2C9

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 4 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-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
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 1/4885CNR1 2/4885CYP2C19 1646/4885

“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.