SCHEMBL3617850

SCHEMBL3617850

Cc1cc(NC(=O)C2c3cc(CN4CC(O)C4)ccc3CCN2C(=O)C(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
F11 P03951 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACKR3 P25106 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL3617998 0.93 PPARG (0.33) PPARGPPARDPPARAF11SMN1; SMN2
Hydrochloric Acid SCHEMBL3605290 0.92 PPARG (0.32) PPARGPPARDPPARAF11SMN1; SMN2
SCHEMBL3604707 0.91 F11 (0.33) PPARGPPARDPPARAF11SMN1; SMN2
Hydrochloric Acid SCHEMBL3611582 0.91 DRD2 (0.35) PPARGPPARDPPARASMN1; SMN2ACKR3
Hydrochloric Acid SCHEMBL3606496 0.91 F11 (0.33) PPARGPPARDPPARAF11SMN1; SMN2
Hydrochloric Acid SCHEMBL3608122 0.85 GHSR (0.32) PPARGPPARDPPARAF11LMNA
SCHEMBL3614774 0.84 GHSR (0.35) PPARGPPARDPPARAF11LMNA
SCHEMBL3616795 0.84 CYP2D6 (0.33) PPARGPPARDPPARAF11LMNA
SCHEMBL3610348 0.83 GHSR (0.33) F11MEN1KMT2A
SCHEMBL3603775 0.83 GHSR (0.33) F11L3MBTL1MEN1KMT2A

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 PPARG 443/4885PPARD 805/4885PPARA 542/4885

“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.