SCHEMBL3608262

SCHEMBL3608262

CCCCC(=O)N1CCc2ccc(N3CCCC3)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
RORC P51449 7/20 0.34
PSMD14 O00487 1/20 0.34
USP2 O75604 1/20 0.34
MMP2 P08253 1/20 0.34
SOAT2 O75908 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSS P25774 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
MTNR1B P49286 2/20 0.32

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 SCHEMBL3607538 0.99 RORC (0.34) TP53RORCPSMD14USP2MMP2
SCHEMBL3596335 0.91 PSMD14 (0.35) TP53PSMD14USP2MMP2MAPT
Hydrochloric Acid SCHEMBL3604814 0.91 PSMD14 (0.35) PSMD14USP2MMP2MAPTNPC1
SCHEMBL3603783 0.90 RORC (0.34) RORCSOAT2ACAT1SOAT1MAPT
Hydrochloric Acid SCHEMBL3608979 0.90 MAPT (0.39) RORCSOAT2ACAT1SOAT1MAPT
SCHEMBL3608986 0.87 RORC (0.37) TP53RORCSOAT2ACAT1SOAT1
SCHEMBL3597182 0.87 CTSS (0.36) RORCPSMD14USP2MMP2MAPT
Hydrochloric Acid SCHEMBL3605940 0.87 GHSR (0.35) RORCPSMD14USP2MMP2CTSS
Hydrochloric Acid SCHEMBL3610550 0.86 RORC (0.37) TP53RORCSOAT2ACAT1SOAT1
SCHEMBL3605947 0.86 TMEM97 (0.38) SOAT2ACAT1SOAT1MTNR1B

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 TP53 1800/4885RORC 488/4885PSMD14 4704/4885

“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.