SCHEMBL3964433

SCHEMBL3964433

CCCc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C=O)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34
KCNH2 Q12809 2/20 0.34
ENPP2 Q13822 1/20 0.34
F2R P25116 3/20 0.33
CNR1 P21554 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
TACR1 P25103 1/20 0.33
TRPA1 O75762 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA2A P08913 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
SCHEMBL2929652 0.92 LMNA (0.41) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3963593 0.90 LMNA (0.37) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3964413 0.89 HTT (0.36) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3969107 0.87 TACR1 (0.35) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3974787 0.86 LMNA (0.41) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3970737 0.85 ENPP2 (0.40) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3804873 0.84 SMN1; SMN2 (0.40) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL2975547 0.82 EPHX2 (0.40) LMNAGAAHTTSMN1; SMN2DRD2
SCHEMBL3970560 0.82 GAA (0.34) LMNAGAAHTTSMN1; SMN2KCNH2
SCHEMBL3968826 0.81 F2R (0.49) LMNAGAAHTTSMN1; SMN2DRD2

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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 LMNA 217/4885GAA 634/4885HTT 878/4885

“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.