SCHEMBL1491455

SCHEMBL1491455

CC(C)(C)OC(=O)N(Cc1ccccc1N)[C@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
THRB P10828 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 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
SCHEMBL1491457 1.00 CACNA1B (0.40) CACNA1BCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL1493571 0.88 CACNA1B (0.38) CACNA1BCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL1493572 0.88 CACNA1B (0.38) CACNA1BCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL14911161 0.85 OPRK1 (0.42) CACNA1BCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL1491573 0.84 KDM4E (0.42) MEN1KMT2AOPRK1
SCHEMBL1491637 0.84 CACNA1B (0.39) CACNA1BTP53HSD11B1OPRK1
SCHEMBL1491575 0.84 KDM4E (0.42) MEN1KMT2AOPRK1
SCHEMBL1491639 0.84 CACNA1B (0.39) CACNA1BTP53HSD11B1OPRK1
SCHEMBL12660638 0.84 SMN1; SMN2 (0.41) CYP2D6CYP1A2CYP3A4LMNACHRM2
SCHEMBL12234610 0.84 MAPK14 (0.41) CACNA1BCYP2D6CYP1A2CYP3A4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CACNA1B 4367/4885CYP2D6 2256/4885CYP1A2 1309/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CACNA1B 3073/4885CYP2D6 917/4885CYP1A2 643/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CACNA1B 3503/4885CYP2D6 1632/4885CYP1A2 775/4885

“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.