SCHEMBL3609162

SCHEMBL3609162

COc1cc(C)ccc1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 1/20 0.44
LPAR1 Q92633 7/20 0.44
CYP3A4 P08684 1/20 0.44
XIAP P98170 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41

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 0.89 RAB9A (0.53) KMT2AMEN1LMNAXIAPNPC1
SCHEMBL3613913 0.83 KMT2A (0.42) KMT2AMEN1TSHRTAS1R3TAS1R1
SCHEMBL3605488 0.82 MEN1 (0.47) KMT2AMEN1LMNAXIAPNPC1
SCHEMBL3601140 0.81 F11 (0.48) XIAPNPC1RAB9A
SCHEMBL3612848 0.81 XIAP (0.47) KMT2AMEN1LMNACYP3A4XIAP
SCHEMBL3604413 0.80 ALDH1A1 (0.47) KMT2ATAS1R3TAS1R1TAS1R2XIAP
SCHEMBL3606637 0.80 MEN1 (0.50) KMT2AMEN1LMNA
SCHEMBL3611346 0.79 XIAP (0.40) KMT2AMEN1XIAP
SCHEMBL3609217 0.79 XIAP (0.40) XIAP
SCHEMBL3612495 0.78 XIAP (0.50) KMT2AMEN1XIAP

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 KMT2A 343/4885MEN1 4401/4885TSHR 4661/4885

“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.