SCHEMBL3603946

SCHEMBL3603946

Cc1cccnc1NC(=O)C1c2ccccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GHSR Q92847 12/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XIAP P98170 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6612183 0.79 F11 (0.48) GHSRNPC1RAB9A
SCHEMBL3608926 0.79 ACE (0.44) SMN1; SMN2LMNAMEN1KMT2AXIAP
SCHEMBL3600218 0.79 ACE (0.44) SMN1; SMN2LMNAMEN1KMT2AXIAP
SCHEMBL15569750 0.78 XIAP (0.61) GHSRXIAP
SCHEMBL19960670 0.77 GHSR (0.49) GHSR
SCHEMBL6612181 0.77 GHSR (0.45) GHSRXIAPNPC1RAB9A
SCHEMBL25142645 0.77 GHSR (0.47) GHSR
SCHEMBL605316 0.77 ACE (0.56) GHSR
SCHEMBL18066415 0.77 ACE (0.56) GHSR
SCHEMBL14744581 0.77 ACE (0.56) GHSR

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 SMN1; SMN2 2979/4885LMNA 4557/4885GHSR 4556/4885

“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.