SCHEMBL3601829

SCHEMBL3601829

COC(=O)C1c2cc(N3CCN(Cc4ccccc4)CC3)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.44
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRM4 P08173 1/20 0.42
P2RX7 Q99572 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3615470 0.83 MTNR1B (0.47) TMEM97SIGMAR1MAPTTSHRMAPK1
SCHEMBL3601158 0.78 GHSR (0.43) GHSR
SCHEMBL25142645 0.78 GHSR (0.47) GHSR
SCHEMBL3294838 0.77 ESR2 (0.52) GHSR
SCHEMBL3599583 0.77 GHSR (0.49) GHSR
SCHEMBL3617357 0.76 GHSR (0.54) GHSRL3MBTL1
SCHEMBL3604525 0.75 GHSR (0.50) GHSRTMEM97SIGMAR1
SCHEMBL14862864 0.75 GHSR (0.73) GHSR
SCHEMBL3072393 0.75 GHSR (0.73) GHSR
SCHEMBL7120537 0.75 GHSR (0.73) 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 4556/4885TMEM97 2230/4885SIGMAR1 1494/4885

“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.