SCHEMBL15380683

SCHEMBL15380683

C[C@@H](c1ccccc1)N1CC[C@@H](CC#N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MC4R P32245 1/20 0.44
CCR5 P51681 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 2/20 0.40
OPRD1 P41143 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRA2A P08913 3/20 0.37
HTR2A P28223 3/20 0.37
ADRA1A P35348 3/20 0.37

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
SCHEMBL8569230 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL14577512 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL27646763 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8565182 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8576385 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8580577 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL9682060 0.88 CYP2D6 (0.50) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL14026665 0.82 CYP2D6 (0.55) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL10280648 0.82 CYP2D6 (0.55) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL19895486 0.81 CYP2D6 (0.44) LMNASMN1; SMN2CYP2D6HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS FASN, FPGS, DHPS LMNA 3065/4885SMN1; SMN2 3941/4885CYP2D6 720/4885

“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.