SCHEMBL3606637

SCHEMBL3606637

COC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RIPK1 Q13546 3/20 0.45
ACE P12821 3/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.42
MTNR1B P49286 1/20 0.41
DRD1 P21728 1/20 0.40

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
SCHEMBL3613317 0.85 ACE (0.60) MEN1KMT2ARIPK1ACETRPM8
SCHEMBL25142645 0.85 GHSR (0.47) ACETRPM8
SCHEMBL18701726 0.83 TRPM8 (0.50) MEN1KMT2ARIPK1ACETRPM8
SCHEMBL18701727 0.83 TRPM8 (0.50) MEN1KMT2ARIPK1ACETRPM8
SCHEMBL19953516 0.82 F11 (0.53) ACETRPV1MTNR1BDRD1
SCHEMBL19960667 0.82 F11 (0.53) ACETRPV1MTNR1BDRD1
SCHEMBL17058892 0.82 ACE (0.50) MEN1KMT2ARIPK1ACETRPM8
SCHEMBL7146356 0.80 GHSR (0.43) ACETRPM8MTNR1B
SCHEMBL3609162 0.80 KMT2A (0.47) MEN1KMT2ALMNA
SCHEMBL3605488 0.80 MEN1 (0.47) MEN1KMT2ALMNA

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 MEN1 4401/4885KMT2A 343/4885RIPK1 4420/4885

“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.