SCHEMBL3316301

SCHEMBL3316301

Cc1ccccc1CC(C)NC1CN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.41
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
DPP4 P27487 3/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
CTBP2 P56545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4716650 0.77 TP53 (0.42) KDM4EEPHX2KMT2AALDH1A1MEN1
SCHEMBL3317207 0.76 CASR (0.42) KMT2AALDH1A1MEN1L3MBTL1GAA
SCHEMBL12813567 0.70 ACACB (0.53) KDM4EKMT2AALDH1A1MEN1
SCHEMBL3317179 0.69 NPC1 (0.61) KMT2AALDH1A1MEN1L3MBTL1GAA
SCHEMBL4711078 0.69 L3MBTL1 (0.42) KDM4EEPHX2KMT2AALDH1A1MEN1
SCHEMBL26076505 0.68 PPARG (0.46) KMT2AALDH1A1DPP4FAPDPP8
SCHEMBL19295493 0.68 KDM4E (0.53) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL19295494 0.68 KDM4E (0.53) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL7629121 0.68 KDM4E (0.53) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL11581985 0.68 HSD17B10 (0.53) KDM4EEPHX2KMT2AALDH1A1MEN1

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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 KDM4E 4603/4885EPHX2 1305/4885KMT2A 3099/4885

“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.