SCHEMBL13077634

SCHEMBL13077634

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ EPHX2 P34913 2/20 0.41
▸ CASR P41180 6/20 0.41
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL13077923 0.88 CASR (0.42) SLC6A4EPHX2CASR
SCHEMBL13077926 0.87 EPHX2 (0.52) SLC6A4EPHX2CASRMETAP2METAP1
SCHEMBL13077637 0.86 EPHX2 (0.42) EPHX2CASRMETAP2METAP1KMT2A
SCHEMBL13078026 0.86 EPHX2 (0.47) SLC6A4EPHX2CASRMETAP2METAP1
SCHEMBL13077608 0.85 ALDH1A1 (0.46) EPHX2CASRMETAP2METAP1KMT2A
SCHEMBL13040883 0.84 CNR1 (0.42) CNR1CNR2SLC6A4EPHX2CASR
SCHEMBL13077971 0.83 EPHX2 (0.39) SLC6A4EPHX2CASR
SCHEMBL13077610 0.83 CASR (0.45) EPHX2CASRMETAP2METAP1
SCHEMBL13077638 0.83 CASR (0.45) EPHX2CASRMETAP2METAP1
SCHEMBL13077968 0.83 CASR (0.40) EPHX2CASRMETAP2METAP1

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 CNR1 49/4885CNR2 175/4885SLC6A4 2677/4885

“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.

Send feedback