SCHEMBL9891732

SCHEMBL9891732

CC(C)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 2/20 0.45
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL9893015 0.88 TDP1 (0.50) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL2568372 0.80 NPC1 (0.51) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL2568370 0.80 NPC1 (0.51) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL13285316 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL13015215 0.79 POLB (0.54) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL9891783 0.78 CNR1 (0.51) SMN1; SMN2LMNATDP1NPC1RAB9A
SCHEMBL2568950 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL2568946 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1POLBNPC1
SCHEMBL14500079 0.72 POLB (0.68) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL12267527 0.71 POLB (0.66) SMN1; SMN2LMNAPOLBNPC1RAB9A

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 4696/4885TDP1 4464/4885

“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.