SCHEMBL977640

SCHEMBL977640

COC(=O)CC1(NC(=O)c2ccc(CCc3ccccc3)o2)CCCN(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ GAA P10253 1/20 0.35

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 0.92 KMT2A (0.37) OPRM1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL12923328 0.91 PRSS1 (0.38) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL980208 0.89 SLC6A9 (0.35) TSHRPRSS1PRSS2PRSS3ALDH1A1
Trifluoroacetic Acid SCHEMBL980207 0.86 SLC6A9 (0.37) TSHRPRSS1PRSS2PRSS3ALDH1A1
Iodide SCHEMBL15590042 0.80 CTDSP1 (0.34) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL982241 0.80 OPRM1 (0.42) OPRM1KCNH2SIGMAR1NPC1RAB9A
SCHEMBL12923331 0.71 TAAR1 (0.36) SMN1; SMN2PRSS1PRSS2PRSS3ALDH1A1
Iodide SCHEMBL977791 0.71 GAA (0.37) OPRM1TSHRALDH1A1KDM4ELMNA
SCHEMBL979136 0.70 EPHX2 (0.46) —
SCHEMBL12923305 0.70 TAAR1 (0.39) NPC1RAB9ASMN1; SMN2PRSS1PRSS2

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 4704/4885KCNH2 4023/4885SIGMAR1 3669/4885

“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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