SCHEMBL3595832

SCHEMBL3595832

Cc1cc(NC(=O)C2c3cc(N4CCN(C)CC4)ccc3CCN2C(=O)C(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
HTT P42858 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 3/20 0.33
F11 P03951 2/20 0.32
SIGMAR1 Q99720 3/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3600711 0.88 CTSS (0.37) CTSSHTTOPRM1OPRD1NPC1
SCHEMBL3604212 0.85 NR1H2 (0.34) F11MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3603755 0.85 NR1H2 (0.34) F11MEN1KMT2ALMNA
SCHEMBL3602396 0.84 F11 (0.33) F11MEN1KMT2ALMNA
SCHEMBL3597182 0.84 CTSS (0.36) CTSSNPC1RAB9AABL1F11
Hydrochloric Acid SCHEMBL3606880 0.83 F11 (0.33) F11MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3607969 0.83 CTSS (0.35) CTSSNPC1RAB9AF11MEN1
Hydrochloric Acid SCHEMBL3608122 0.83 GHSR (0.32) F11MEN1KMT2ALMNA
SCHEMBL3607351 0.82 RORC (0.37) F11
SCHEMBL3614774 0.82 GHSR (0.35) F11MEN1KMT2ALMNA

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 CTSS 1774/4885HTT 1010/4885OPRM1 1855/4885

“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.