SCHEMBL12733261

SCHEMBL12733261

CCCN(C)c1ccc(C2CN(Cc3ccc(OC)cc3)C(=O)N2c2ccc(N)c(N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL16864400 0.93 HDAC1 (0.36) HDAC1LMNAMAPK1ALDH1A1GRM2
SCHEMBL12733048 0.89 HDAC1 (0.38) HDAC1MAPK1ALDH1A1GRM2
SCHEMBL12733250 0.86 HDAC1 (0.38) OPRM1OPRL1HDAC1ALDH1A1GRM2
SCHEMBL12812820 0.83 HDAC1 (0.39) HDAC1LMNAALDH1A1GRM2
SCHEMBL12733267 0.83 QPCT (0.49) —
SCHEMBL12813772 0.77 QPCT (0.47) —
SCHEMBL12733047 0.72 QPCT (0.42) MAPK1
SCHEMBL12733251 0.70 QPCT (0.47) —
SCHEMBL1443506 0.69 MEN1 (0.42) HDAC1ALDH1A1
SCHEMBL12812830 0.67 QPCT (0.42) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — 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 (2 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS OPRM1 3659/4885OPRL1 2695/4885HDAC1 1740/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS OPRM1 3659/4885OPRL1 2695/4885HDAC1 1740/4885

“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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