SCHEMBL3608616

SCHEMBL3608616

CCCCCC(=O)N1CCc2ccc(O)cc2C1C(=O)Nc1c(C(C)C)cc(N)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
MTNR1B P49286 2/20 0.39
XIAP P98170 5/20 0.36
GHSR Q92847 1/20 0.36
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
SOAT1 P35610 1/20 0.34

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
Hydrochloric Acid SCHEMBL3613026 0.99 RORC (0.38) RORCMTNR1BXIAPGHSRCASP3
SCHEMBL3596631 0.91 SOAT1 (0.44) RORCMTNR1BXIAPGHSRSOAT1
SCHEMBL3613659 0.90 XIAP (0.44) RORCMTNR1BXIAPGHSR
Hydrochloric Acid SCHEMBL3611807 0.89 XIAP (0.44) RORCMTNR1BXIAPGHSR
SCHEMBL3610767 0.83 NR1I2 (0.44) RORCMTNR1BXIAP
SCHEMBL3613865 0.82 NR1I2 (0.43) RORCMTNR1BXIAP
SCHEMBL3604048 0.81 XIAP (0.49) MTNR1BXIAPSOAT1
SCHEMBL3596058 0.79 GHSR (0.43) RORCMTNR1BGHSR
SCHEMBL3606601 0.78 XIAP (0.42) RORCMTNR1BXIAPGHSR
SCHEMBL3616236 0.78 RORC (0.39) RORCMTNR1BGHSRCASP3CASP2

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 4 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 claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
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 RORC 488/4885MTNR1B 2142/4885XIAP 934/4885

“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.