SCHEMBL3604707

SCHEMBL3604707

COC1CN(Cc2ccc3c(c2)C(C(=O)Nc2cc(C)c(O)c(C)c2C)N(C(=O)C(C)(C)C)CC3)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL3606496 0.99 F11 (0.33) F11PPARGPPARDPPARAPRMT5
SCHEMBL3617850 0.91 PPARG (0.33) F11PPARGPPARDPPARAMEN1
SCHEMBL3617998 0.91 PPARG (0.33) F11PPARGPPARDPPARAMEN1
Hydrochloric Acid SCHEMBL3605290 0.90 PPARG (0.32) F11PPARGPPARDPPARALMNA
Hydrochloric Acid SCHEMBL3611582 0.89 DRD2 (0.35) PPARGPPARDPPARASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3608122 0.83 GHSR (0.32) F11PPARGPPARDPPARAMEN1
SCHEMBL3614774 0.82 GHSR (0.35) F11PPARGPPARDPPARAMEN1
SCHEMBL3616795 0.82 CYP2D6 (0.33) F11PPARGPPARDPPARAMEN1
SCHEMBL3610348 0.81 GHSR (0.33) F11MEN1KMT2AGHSRRORC
SCHEMBL3603775 0.81 GHSR (0.33) F11MEN1KMT2AMAPTGHSR

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 F11 4805/4885PPARG 443/4885PPARD 805/4885

“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.