SCHEMBL1889387

SCHEMBL1889387

COC(=O)C(CCCN1CCC(=Cc2cccc(OC)c2)CC1)(c1ccc(Br)cc1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 16/20 0.62
KCNH2 Q12809 6/20 0.60
CACNA1C Q13936 1/20 0.46
OGA O60502 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL1888554 0.94 CACNA1G (0.57) CACNA1GKCNH2OGAMCHR1DRD2
SCHEMBL1885738 0.92 CACNA1G (0.70) CACNA1GKCNH2CACNA1CMCHR1
SCHEMBL1889675 0.91 CACNA1G (0.60) CACNA1GKCNH2CACNA1CMCHR1DRD2
SCHEMBL1885767 0.90 CACNA1G (0.71) CACNA1GKCNH2CACNA1COGAMCHR1
SCHEMBL1882166 0.87 CACNA1G (0.59) CACNA1GKCNH2CACNA1COGAMCHR1
SCHEMBL1891487 0.86 CACNA1G (0.57) CACNA1GKCNH2OGAMCHR1MAPT
SCHEMBL1891431 0.86 CACNA1G (0.62) CACNA1GKCNH2CACNA1CMCHR1
SCHEMBL12672722 0.86 CACNA1G (0.42) CACNA1GKCNH2OGAMCHR1
SCHEMBL1881368 0.85 CACNA1G (0.71) CACNA1GKCNH2CACNA1CMCHR1
SCHEMBL1887134 0.85 CACNA1G (0.62) CACNA1GKCNH2CACNA1CMCHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 US claimed
US-7939672-B2 Phenylacetate derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and composition for prevention or treatment of diseases induced by activation of T-type calcium ion channel containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-10 US disclosed
US-7939672-B2 Phenylacetate derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and composition for prevention or treatment of diseases induced by activation of T-type calcium ion channel containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 US disclosed
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 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-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT CACNA1A, CACNA1G, CACNA1H CACNA1G 2/4885KCNH2 55/4885CACNA1C 8/4885

“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.