SCHEMBL499546

SCHEMBL499546

NCCC(N)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PNMT P11086 2/20 0.45
GBA1 P04062 1/20 0.43
HRH1 P35367 1/20 0.43
AOC3 Q16853 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL16649685 1.00 TAAR1 (0.47) TAAR1PNMTGBA1HRH1AOC3
SCHEMBL28104541 0.89 TAAR1 (0.42) TAAR1PNMTGBA1HRH1AOC3
SCHEMBL25269085 0.86 PNMT (0.47) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL382070 0.86 PNMT (0.47) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL19053623 0.86 PNMT (0.47) TAAR1PNMTGBA1AOC3OPRM1
SCHEMBL9903831 0.86 PNMT (0.47) TAAR1PNMTGBA1AOC3OPRM1
SCHEMBL16692504 0.85 OPRM1 (0.49) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL5652929 0.85 OPRM1 (0.49) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL5947869 0.84 HRH1 (0.59) TAAR1PNMTHRH1AOC3IDO1
SCHEMBL3489363 0.82 GBA1 (0.48) PNMTGBA1AOC3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073871-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-04-11 WO disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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 (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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP TAAR1 3427/4885PNMT 979/4885GBA1 305/4885

“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.