SCHEMBL3734723

SCHEMBL3734723

CC(C)C(=O)NCCC#CC=CCN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.41
▸ NQO2 P16083 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ SSTR4 P31391 1/20 0.38
▸ METAP2 P50579 3/20 0.37
▸ METAP1 P53582 3/20 0.37
▸ CASR P41180 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL3734722 1.00 EPHX2 (0.41) EPHX2NQO2MTNR1ASSTR4METAP2
SCHEMBL3734727 1.00 EPHX2 (0.41) EPHX2NQO2MTNR1ASSTR4METAP2
SCHEMBL13040834 0.91 EPHX2 (0.39) EPHX2SSTR4METAP2METAP1CASR
SCHEMBL13040832 0.88 EPHX2 (0.39) EPHX2SSTR4METAP2METAP1
SCHEMBL13040869 0.88 EPHX2 (0.44) EPHX2MTNR1ASSTR4CASRLMNA
SCHEMBL13040871 0.88 EPHX2 (0.48) EPHX2SSTR4METAP2METAP1LMNA
SCHEMBL13040870 0.88 EPHX2 (0.44) EPHX2MTNR1ASSTR4METAP2METAP1
SCHEMBL13040874 0.87 EPHX2 (0.45) EPHX2CASR
SCHEMBL13040831 0.86 EPHX2 (0.38) EPHX2SSTR4CASR
SCHEMBL13040833 0.86 EPHX2 (0.38) EPHX2SSTR4CASRLMNAGAA

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 2 patents. 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 claimed
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 1436/4885NQO2 2416/4885MTNR1A 820/4885

“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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