SCHEMBL13077828

SCHEMBL13077828

CC(C)NC(=O)NCC/C=C/CN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.56
▸ OPRM1 P35372 2/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SSTR4 P31391 1/20 0.42
▸ BMP1 P13497 2/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CHRM1 P11229 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
SCHEMBL13078019 0.89 EPHX2 (0.51) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077918 0.89 EPHX2 (0.51) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077829 0.88 EPHX2 (0.53) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077957 0.86 EPHX2 (0.47) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077559 0.85 EPHX1 (0.47) EPHX2LMNAMETAP2METAP1CYP2D6
SCHEMBL13077955 0.84 EPHX2 (0.46) EPHX2OPRM1LMNAGAASSTR4
SCHEMBL13077821 0.83 EPHX2 (0.45) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13040871 0.83 EPHX2 (0.48) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077953 0.83 EPHX2 (0.44) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL13077619 0.83 EPHX2 (0.44) EPHX2OPRM1LMNAGAASSTR4

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R EPHX2 1436/4885OPRM1 3964/4885OPRD1 3252/4885

“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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