SCHEMBL9892029

SCHEMBL9892029

O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
DEGS1 O15121 1/20 0.44
CNR2 P34972 5/20 0.44
TRPV1 Q8NER1 3/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 2/20 0.39
PTGS1 P23219 1/20 0.39
NPC1 O15118 1/20 0.39
CNR1 P21554 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
WNT1 P04628 3/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL13257124 0.83 CNR2 (0.58) NPY5RDEGS1CNR2TRPV1EPHX2
SCHEMBL13257034 0.83 CNR2 (0.58) NPY5RDEGS1CNR2TRPV1EPHX2
SCHEMBL9105307 0.80 POLB (0.56) NPY5RDEGS1CNR2TRPV1EPHX2
SCHEMBL2570675 0.77 CNR2 (0.52) NPY5RDEGS1CNR2TRPV1RAB9A
SCHEMBL16253062 0.77 DEGS1 (0.49) NPY5RDEGS1CNR2TRPV1EPHX2
SCHEMBL9892034 0.77 CNR2 (0.73) CNR2CNR1
SCHEMBL20707809 0.74 NPY5R (0.71) NPY5RDEGS1RAB9APTGS1NPC1
SCHEMBL9891995 0.73 CNR2 (0.54) NPY5RDEGS1CNR2EPHX2RAB9A
SCHEMBL13257756 0.72 TRPV1 (0.44) NPY5RDEGS1TRPV1EPHX2RAB9A
SCHEMBL9892030 0.72 ADORA3 (0.55) CNR2RAB9ANPC1MEN1KMT2A

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 NPY5R 174/4885DEGS1 2695/4885CNR2 1/4885

“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.