SCHEMBL181316

SCHEMBL181316

CC(C)C[C@@](C)(N)C(=O)OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.38
NAAA Q02083 2/20 0.36
HTT P42858 2/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
CHRM3 P20309 3/20 0.33
CYP2C19 P33261 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL181642 1.00 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTGRM2
SCHEMBL181317 1.00 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTGRM2
SCHEMBL22062029 0.81 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL7899893 0.81 EPHX1 (0.44) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL10072446 0.80 PDE4D (0.36) GRM2GRM3
SCHEMBL21673427 0.79 CYP19A1 (0.45) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL13448097 0.79 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL9913254 0.79 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL12460124 0.79 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL28747158 0.78 NAAA (0.44) CYP19A1EPHX1NAAAHTTCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
EP-2401257-A1 ENZYME INHIBITORS Chroma Therapeutics Ltd. (GB) 2012-01-04 EP disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 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 (5 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 CYP19A1 387/4885EPHX1 887/4885NAAA 362/4885
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CYP19A1 612/4885EPHX1 166/4885NAAA 243/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 CYP19A1 577/4885EPHX1 1882/4885NAAA 334/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CYP19A1 612/4885EPHX1 166/4885NAAA 243/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 CYP19A1 534/4885EPHX1 982/4885NAAA 120/4885

“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.