SCHEMBL765491

SCHEMBL765491

COCC1(COC)C[C@@H](N)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
TP53 P04637 2/20 0.46
EHMT2 Q96KQ7 1/20 0.45
PYGL P06737 1/20 0.45
PYGM P11217 1/20 0.45
KCNH2 Q12809 4/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL1855663 0.90 EHMT2 (0.56) EHMT2PYGLPYGMSMYD3
SCHEMBL1855661 0.90 EHMT2 (0.56) EHMT2PYGLPYGMSMYD3
SCHEMBL13755097 0.79 TP53 (0.51) GHSROPRM1OPRK1TP53EHMT2
SCHEMBL763865 0.78 TP53 (0.53) GHSROPRM1OPRK1TP53PYGL
SCHEMBL763907 0.77 PYGL (0.52) EHMT2PYGLPYGMSMYD3
SCHEMBL1859655 0.77 PYGL (0.52) EHMT2PYGLPYGMSMYD3
SCHEMBL11959786 0.76 MLLT1 (0.52) GHSROPRM1OPRK1TP53PYGL
SCHEMBL11960259 0.76 TP53 (0.51) GHSROPRM1OPRK1TP53PYGL
SCHEMBL11888279 0.76 TP53 (0.48) GHSROPRM1OPRK1TP53EHMT2
SCHEMBL11888236 0.76 MLLT1 (0.51) GHSROPRM1OPRK1TP53PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 GHSR 4332/4885OPRM1 1212/4885OPRK1 2286/4885

“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.