SCHEMBL13040697

SCHEMBL13040697

C[C@@H](NC/C=C/C#CC(O)c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 6/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ EPHX2 P34913 2/20 0.37

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
SCHEMBL13040753 0.88 CASR (0.43) CASRSLC6A4METAP2METAP1
SCHEMBL13040746 0.82 CASR (0.43) CASRSLC6A4EPHX2
SCHEMBL13040698 0.81 EPHX2 (0.43) CASRMETAP2METAP1EPHX2
SCHEMBL13040704 0.81 CASR (0.43) CASRSLC6A4EPHX2
SCHEMBL13040692 0.81 CASR (0.43) CASRSLC6A4
SCHEMBL13077597 0.80 CASR (0.43) CASRSLC6A4METAP2METAP1EPHX2
SCHEMBL13040911 0.79 EPHX2 (0.39) CASRMETAP2METAP1EPHX2
SCHEMBL13040750 0.79 CASR (0.41) CASRSLC6A4
SCHEMBL13040694 0.79 CASR (0.41) CASRSLC6A4
SCHEMBL13040740 0.79 CASR (0.41) CASRSLC6A4

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 disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — WO 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 CASR 5/4885SLC6A4 2677/4885METAP2 2630/4885

“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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