SCHEMBL3609833

SCHEMBL3609833

COC(=O)C1c2cc([N+](=O)[O-])ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.49
DRD2 P14416 3/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NR1H2 P55055 1/20 0.42
HTR2A P28223 2/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
ESR2 Q92731 1/20 0.40
PTPN1 P18031 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
SCHEMBL3294838 0.84 ESR2 (0.52) GHSRNR1H2ESR2PTPN1
SCHEMBL3617478 0.81 GHSR (0.45) GHSRALDH1A1LMNAHTTNCOA1
SCHEMBL3601158 0.81 GHSR (0.43) GHSRNR1H2ESR2PTPN1
SCHEMBL3602844 0.81 GHSR (0.43) GHSRNR1H2ESR2PTPN1
SCHEMBL3607676 0.81 GHSR (0.49) GHSRNR1H2ESR2PTPN1
SCHEMBL3074432 0.81 GHSR (0.58) GHSR
SCHEMBL3075433 0.80 GHSR (0.60) GHSR
SCHEMBL3071321 0.80 GHSR (0.53) GHSRLMNAHTTNCOA1SMN1; SMN2
SCHEMBL3607395 0.80 DRD2 (0.46) GHSRDRD2NR1H2ESR2PTPN1
SCHEMBL25142645 0.80 GHSR (0.47) GHSR

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 4556/4885DRD2 4578/4885MAPT 260/4885

“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.