SCHEMBL9106786

SCHEMBL9106786

O=C(O)[C@@H]1C[C@@H](O)CN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ABL1 P00519 1/20 0.46
ITGB2 P05107 3/20 0.44
ICAM1 P05362 3/20 0.44
ITGAL P20701 3/20 0.44
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9105531 1.00 LMNA (0.46) LMNAKDM4EABL1ITGB2ICAM1
SCHEMBL3710780 1.00 LMNA (0.46) LMNAKDM4EABL1ITGB2ICAM1
SCHEMBL2570675 0.83 CNR2 (0.52) LMNAKDM4EABL1CNR2CNR1
SCHEMBL2568629 0.81 HRH3 (0.43) LMNAKDM4EABL1CNR2CNR1
SCHEMBL16480405 0.80 CXCR3 (0.45) LMNAKDM4EABL1CNR2CNR1
SCHEMBL16480415 0.80 CXCR3 (0.45) LMNAKDM4EABL1CNR2CNR1
SCHEMBL9103251 0.79 CHRM2 (0.44) LMNAKDM4EABL1CNR2CNR1
SCHEMBL9893158 0.78 SMN1; SMN2 (0.44) LMNAKDM4EABL1MAPTSMN1; SMN2
SCHEMBL9891828 0.78 MAPT (0.43) LMNAKDM4EABL1CNR2CNR1
SCHEMBL9891883 0.78 MAPT (0.43) LMNAKDM4EABL1CNR2CNR1

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 LMNA 4696/4885KDM4E 2527/4885ABL1 2669/4885

“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.