SCHEMBL3602844

SCHEMBL3602844

COC(=O)C1c2cc(N(C)C)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.43
PTPN1 P18031 1/20 0.41
NR1H2 P55055 1/20 0.41
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL3294838 0.85 ESR2 (0.52) GHSRPTPN1NR1H2ESR2NPC1
SCHEMBL3607676 0.83 GHSR (0.49) GHSRPTPN1NR1H2ESR2NPC1
SCHEMBL3601158 0.83 GHSR (0.43) GHSRPTPN1NR1H2ESR2NPC1
SCHEMBL3607395 0.82 DRD2 (0.46) GHSRPTPN1NR1H2ESR2
SCHEMBL25142645 0.82 GHSR (0.47) GHSR
SCHEMBL3609833 0.81 GHSR (0.49) GHSRPTPN1NR1H2ESR2
SCHEMBL3072722 0.79 GHSR (0.62) GHSR
SCHEMBL14863068 0.79 ESR2 (0.52) GHSRESR2
SCHEMBL3075924 0.79 ESR2 (0.52) GHSRESR2
SCHEMBL3056292 0.79 ESR2 (0.52) GHSRESR2

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT GHSR 4556/4885PTPN1 1728/4885NR1H2 209/4885

“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.