SCHEMBL7030141

SCHEMBL7030141

CC(=O)OCC1CN(C(=O)OCc2ccccc2)CCC1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
PDE4B Q07343 1/20 0.46
GRIN2B Q13224 2/20 0.46
TRPC3 Q13507 1/20 0.44
TRPC7 Q9HCX4 1/20 0.44
HTT P42858 1/20 0.43
RORC P51449 1/20 0.42
HTR2C P28335 1/20 0.42
KDM1A O60341 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
SCHEMBL7030136 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL7031536 0.90 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL7031537 0.90 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6850331 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6696906 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6689935 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6696900 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6850277 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6690204 0.87 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL6690206 0.87 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B

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
EP-1283200-A2 Optically pure paroxetine precursors Astur-Pharma, S.A. (ES) 2003-02-12 EP disclosed
US-20030018048-A1 Optically pure paroxetine precursors ASTUR PHARMA 2003-01-23 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-20030018048-A1 Optically pure paroxetine precursors TPH1, TPH2, MAOB SMN1; SMN2 4526/4885NPC1 4061/4885RAB9A 1359/4885

“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.