SCHEMBL9103651

SCHEMBL9103651

O=C(O)[C@@H]1C[C@@H](O)CN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.64
SCN9A Q15858 1/20 0.58
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 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
SCHEMBL3707377 1.00 SMN1; SMN2 (0.64) SMN1; SMN2SCN9ANPC1RAB9AMAPT
SCHEMBL3707374 1.00 SMN1; SMN2 (0.64) SMN1; SMN2SCN9ANPC1RAB9AMAPT
SCHEMBL3788733 0.88 SMN1; SMN2 (0.53) SMN1; SMN2SCN9ANPC1RAB9AMAPT
SCHEMBL16480468 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL16480375 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL2123422 0.81 MAPT (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL2123425 0.81 MAPT (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL3698930 0.80 CNR1 (0.62) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL3703692 0.80 CNR1 (0.62) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL9891827 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA

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 SMN1; SMN2 4659/4885SCN9A 2624/4885NPC1 1904/4885

“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.