SCHEMBL3601140

SCHEMBL3601140

Cc1cc(C(=O)O)ccc1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KLKB1 P03952 3/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
XIAP P98170 1/20 0.40
AKR1C3 P42330 1/20 0.39
ACE P12821 2/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL3608276 0.90 RAB9A (0.53) NPC1RAB9APPARGPPARDPPARA
SCHEMBL3608726 0.86 F11 (0.36) F11NPC1RAB9ATRPM8
SCHEMBL3606040 0.82 F11 (0.47) F11NPC1RAB9AKLKB1PPARG
SCHEMBL3612848 0.81 XIAP (0.47) F11NPC1RAB9AXIAP
SCHEMBL3609162 0.81 KMT2A (0.47) NPC1RAB9AXIAP
SCHEMBL3612495 0.81 XIAP (0.50) F11XIAPACE
SCHEMBL3604413 0.81 ALDH1A1 (0.47) TRPM8XIAP
SCHEMBL3613507 0.80 XIAP (0.43) F11PPARGPPARDPPARAXIAP
SCHEMBL3609217 0.80 XIAP (0.40) F11TRPM8PPARGPPARDPPARA
SCHEMBL3611346 0.80 XIAP (0.40) F11TRPM8PPARGPPARDPPARA

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 F11 4805/4885NPC1 326/4885RAB9A 1495/4885

“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.