SCHEMBL3603783

SCHEMBL3603783

CCCCCC(=O)N1CCc2ccc(N3CCNCC3)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.34
ABCB1 P08183 2/20 0.34
MTNR1B P49286 2/20 0.34
TLR2 O60603 2/20 0.34
SOAT2 O75908 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 1/20 0.32
KDM1B Q8NB78 1/20 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
SCHEMBL3608262 0.90 TP53 (0.35) RORCMTNR1BSOAT2ACAT1SOAT1
Hydrochloric Acid SCHEMBL3608979 0.90 MAPT (0.39) RORCMTNR1BSOAT2ACAT1SOAT1
Hydrochloric Acid SCHEMBL3607538 0.90 RORC (0.34) RORCMTNR1BSOAT2ACAT1SOAT1
SCHEMBL3616236 0.87 RORC (0.39) RORCMTNR1BSOAT2ACAT1SOAT1
SCHEMBL3605947 0.87 TMEM97 (0.38) MTNR1BSOAT2ACAT1SOAT1
SCHEMBL3607582 0.85 RORC (0.37) RORCMTNR1BSOAT2ACAT1SOAT1
Hydrochloric Acid SCHEMBL3611410 0.85 RORC (0.36) RORCMTNR1BSOAT2ACAT1SOAT1
SCHEMBL3596093 0.84 RORC (0.36) RORCMTNR1BSOAT2ACAT1SOAT1
SCHEMBL3616055 0.84 RORC (0.38) RORCMTNR1BSOAT2ACAT1SOAT1
SCHEMBL3617469 0.83 ACE (0.43) RORCMTNR1BSOAT2ACAT1SOAT1

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 488/4885ABCB1 913/4885MTNR1B 2142/4885

“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.