SCHEMBL982241

SCHEMBL982241

CCOC(=O)CC1(NC(=O)c2ccc(CCc3ccccc3)o2)CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ CHRM5 P08912 4/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 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
SCHEMBL977848 0.89 KMT2A (0.37) OPRM1OPRD1OPRK1KCNA3MEN1
Iodide SCHEMBL977791 0.85 GAA (0.37) OPRM1OPRD1MEN1KMT2APOLB
SCHEMBL978042 0.82 KDM4E (0.46) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL12923328 0.76 PRSS1 (0.38) SCN1ASCN2ASCN3ACHRM5CHRM3
SCHEMBL980208 0.75 SLC6A9 (0.35) SCN1ASCN2ASCN3APKM
SCHEMBL12923305 0.73 TAAR1 (0.39) MEN1KMT2ANPC1POLBRAB9A
Trifluoroacetic Acid SCHEMBL980207 0.72 SLC6A9 (0.37) —
Iodide SCHEMBL15590042 0.71 CTDSP1 (0.34) POLB
SCHEMBL979229 0.71 S1PR1 (0.47) MEN1KMT2A
SCHEMBL979605 0.71 SPHK1 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — US disclosed
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 OPRM1 4704/4885OPRD1 4229/4885SLC22A1 99/4885

“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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