SCHEMBL9104817

SCHEMBL9104817

O=C(O)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LCAT P04180 1/20 0.38
ACACB O00763 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C8 P10632 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9104794 1.00 HDAC1 (0.42) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL2568372 0.87 NPC1 (0.51) CNR2CNR1NPC1RAB9ACYP2C9
SCHEMBL2568370 0.87 NPC1 (0.51) CNR2CNR1NPC1RAB9ACYP2C9
SCHEMBL9106063 0.78 CNR2 (0.58) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL9106074 0.78 CNR2 (0.58) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL9892253 0.77 CNR2 (0.74) CNR2CNR1CYP2C9CYP2C19CYP2C8
SCHEMBL13285316 0.76 SMN1; SMN2 (0.50) CNR2CNR1NPC1RAB9ACYP2C9
SCHEMBL31381279 0.73 LMNA (0.54) NPC1RAB9ALCATACACBCHRM2
SCHEMBL3701589 0.73 CNR2 (0.53) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL9106175 0.73 CNR2 (0.53) HDAC1HDAC8HDAC6CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP 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

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 HDAC1 1767/4885HDAC8 2405/4885HDAC6 1750/4885

“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.