SCHEMBL3963593

SCHEMBL3963593

CCOCCc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C=O)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CNR1 P21554 1/20 0.33
F2R P25116 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
TACR1 P25103 1/20 0.33
KCNH2 Q12809 1/20 0.32
ENPP2 Q13822 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ADRA1B P35368 1/20 0.32
P2RY14 Q15391 1/20 0.32

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
SCHEMBL3964413 0.91 HTT (0.36) LMNAGAAHTTSMN1; SMN2CHRM2
SCHEMBL3964433 0.90 LMNA (0.40) LMNAGAAHTTSMN1; SMN2CHRM2
SCHEMBL15261923 0.89 F2R (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3969107 0.88 TACR1 (0.35) LMNAGAAHTTSMN1; SMN2CNR1
SCHEMBL2929652 0.88 LMNA (0.41) LMNAGAAHTTSMN1; SMN2CNR1
SCHEMBL1581294 0.84 F2R (0.43) LMNAGAAHTTSMN1; SMN2CHRM2
SCHEMBL3804873 0.84 SMN1; SMN2 (0.40) LMNAGAAHTTSMN1; SMN2CNR1
SCHEMBL3974787 0.82 LMNA (0.41) LMNAGAAHTTSMN1; SMN2CNR1
SCHEMBL3760972 0.81 F2R (0.44) LMNAGAAHTTSMN1; SMN2CHRM2
SCHEMBL3798403 0.81 F2R (0.49) LMNAGAAHTTSMN1; SMN2CHRM2

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-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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 (2 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 LMNA 217/4885GAA 634/4885HTT 878/4885
US-20130252948-A1 Substituted piperidines VHL, PIR, PTGIS LMNA 396/4885GAA 964/4885HTT 1162/4885

“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.