SCHEMBL15970246

SCHEMBL15970246

O=C(C1CC=CC2CCN(C3CC3)C(=O)C21)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ PREP P48147 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL13099500 1.00 MEN1 (0.67) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13108659 1.00 MEN1 (0.67) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL3263076 0.94 KMT2A (0.60) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13099504 0.94 KMT2A (0.60) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13108431 0.94 KMT2A (0.60) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13099487 0.81 MEN1 (1.00) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13108664 0.81 MEN1 (1.00) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13099498 0.78 PREP (0.45) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13108591 0.78 PREP (0.45) MEN1KMT2APREPALDH1A1HCRTR1
SCHEMBL13099509 0.77 PREP (0.68) MEN1KMT2APREPALDH1A1HCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF KANSAS (US) 2014-08-28 — — US 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-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRD1 MEN1 3913/4885KMT2A 1523/4885PREP 1477/4885

“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.

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