SCHEMBL9105787

SCHEMBL9105787

O=C1C[C@@H](C(=O)O)N(c2ncc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.53
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 3/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9105809 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL2123425 0.81 MAPT (0.56) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL2123422 0.81 MAPT (0.56) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL16480465 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3698930 0.80 CNR1 (0.62) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL9891871 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL3703692 0.80 CNR1 (0.62) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL9103651 0.79 SMN1; SMN2 (0.64) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3707377 0.79 SMN1; SMN2 (0.64) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL3707374 0.79 SMN1; SMN2 (0.64) SMN1; SMN2LMNANPC1RAB9AMAPT

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 4659/4885LMNA 4696/4885NPC1 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.