SCHEMBL3603140

SCHEMBL3603140

COC(=O)CCc1ccc2c(c1)C(C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL3608110 0.91 GHSR (0.39) GHSRLMNANPSR1CYP1A2POLB
SCHEMBL3615682 0.89 FKBP1A (0.31)
SCHEMBL3603138 0.85 HDAC8 (0.48) NPSR1HDAC8
SCHEMBL3612561 0.83 GHSR (0.44) GHSRLMNANPSR1CYP1A2POLB
SCHEMBL3609159 0.83 GHSR (0.44) GHSRNPSR1HDAC8
SCHEMBL3608301 0.81 GHSR (0.38) GHSRLMNANPSR1HDAC8
SCHEMBL3612843 0.80 GHSR (0.35) GHSRLMNA
SCHEMBL3610528 0.79 GHSR (0.30) GHSR
SCHEMBL3598803 0.79 ROCK2 (0.34)
SCHEMBL3610576 0.78 GHSR (0.40) GHSRNPSR1POLB

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 4556/4885LMNA 4557/4885NPSR1 3525/4885

“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.