SCHEMBL9893096

SCHEMBL9893096

O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCN1c1ccc(Cl)cn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.65
CNR1 P21554 6/20 0.65
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.52
CYP2C8 P10632 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
DEGS1 O15121 2/20 0.45
CYP2C9 P11712 1/20 0.44
NPY5R Q15761 1/20 0.44
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
SYK P43405 1/20 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
SCHEMBL9893051 0.94 CNR2 (0.72) CNR2CNR1LMNACYP2C8CYP2C19
SCHEMBL9893097 0.94 CNR2 (0.72) CNR2CNR1LMNACYP2C8CYP2C19
SCHEMBL9893094 0.94 CNR2 (0.72) CNR2CNR1LMNACYP2C8CYP2C19
SCHEMBL9893135 0.88 CNR2 (0.58) CNR2CNR1LMNATSHRGAA
SCHEMBL9893136 0.83 CNR2 (0.65) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2568102 0.83 CNR2 (0.65) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892064 0.82 CNR2 (0.71) CNR2CNR1LMNATSHRGAA
SCHEMBL9892068 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892070 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9893098 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6

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 1/4885CNR1 2/4885LMNA 4696/4885

“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.