SCHEMBL3607395

SCHEMBL3607395

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
AR P10275 1/20 0.42
GHSR Q92847 5/20 0.41
PTPN1 P18031 1/20 0.40
NR1H2 P55055 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
ABCB1 P08183 4/20 0.39
ESR2 Q92731 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL3614996 0.89 DRD2 (0.45) DRD2ARGHSRNR1H2GPR119
SCHEMBL3294838 0.84 ESR2 (0.52) GHSRPTPN1NR1H2ESR2
SCHEMBL3602844 0.82 GHSR (0.43) GHSRPTPN1NR1H2ESR2
SCHEMBL3601158 0.82 GHSR (0.43) GHSRPTPN1NR1H2ESR2
SCHEMBL3607676 0.82 GHSR (0.49) GHSRPTPN1NR1H2ESR2
SCHEMBL3611817 0.81 GHSR (0.44) DRD2GHSR
SCHEMBL25142645 0.81 GHSR (0.47) GHSR
SCHEMBL17726437 0.81 GHSR (0.46) DRD2ARGHSRGPR119
SCHEMBL17391131 0.81 DRD2 (0.44) DRD2GHSRGPR119
SCHEMBL3061738 0.80 GHSR (0.59) GHSRGPR119

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 DRD2 4578/4885AR 1232/4885GHSR 4556/4885

“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.