SCHEMBL13077926

SCHEMBL13077926

C[C@@H](NC/C=C/C(C)(C)C(=O)NCCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ METAP2 P50579 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ CASR P41180 3/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ MLNR O43193 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GLRA1 P23415 1/20 0.43
▸ AVPR2 P30518 1/20 0.43

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
SCHEMBL13078026 0.91 EPHX2 (0.47) EPHX2METAP2METAP1CASRADRA2C
SCHEMBL13077923 0.89 CASR (0.42) EPHX2CASRADRA2CSLC6A2HTR2C
SCHEMBL13077634 0.87 CNR1 (0.46) EPHX2METAP2METAP1CASRSLC6A4
SCHEMBL13077971 0.84 EPHX2 (0.39) EPHX2CASRADRA2CSLC6A2HTR2C
SCHEMBL13077638 0.84 CASR (0.45) EPHX2METAP2METAP1CASRCYP2C9
SCHEMBL13077610 0.84 CASR (0.45) EPHX2METAP2METAP1CASRCYP2C9
SCHEMBL13040910 0.84 EPHX2 (0.48) EPHX2METAP2METAP1CASRADRA2C
SCHEMBL13077631 0.83 EPHX2 (0.40) EPHX2METAP2METAP1CASRADRA2C
SCHEMBL13077920 0.83 EPHX2 (0.39) EPHX2CASRHTTRAB9AALDH1A1
SCHEMBL13077573 0.83 RAB9A (0.42) EPHX2RAB9ANPC1CYP1A2CYP2C19

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 1436/4885METAP2 2630/4885METAP1 2113/4885

“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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