SCHEMBL13077955

SCHEMBL13077955

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.46
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ SSTR4 P31391 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
▸ DRD2 P14416 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ GLRA1 P23415 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ AVPR2 P30518 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
SCHEMBL13077918 0.89 EPHX2 (0.51) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077619 0.87 EPHX2 (0.44) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077953 0.87 EPHX2 (0.44) EPHX2LMNAGAAGPR139METAP2
SCHEMBL13078019 0.87 EPHX2 (0.51) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077957 0.86 EPHX2 (0.47) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077821 0.86 EPHX2 (0.45) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077828 0.84 EPHX2 (0.56) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13077829 0.83 EPHX2 (0.53) EPHX2LMNAGAAMETAP2METAP1
SCHEMBL13040832 0.83 EPHX2 (0.39) EPHX2GPR139METAP2METAP1SSTR4
SCHEMBL13077963 0.81 CASR (0.42) EPHX2LMNAGAAMLNRABCB11

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 1436/4885LMNA 1781/4885GAA 1463/4885

“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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