SCHEMBL7899893

SCHEMBL7899893

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
CYP19A1 P11511 2/20 0.43
NAAA Q02083 2/20 0.42
HTT P42858 2/20 0.37
CYP2C19 P33261 1/20 0.35
CHRM3 P20309 5/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MLNR O43193 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL21673427 0.84 CYP19A1 (0.45) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL12877198 0.83 EPHX1 (0.50) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28747158 0.82 NAAA (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
Hydrochloric Acid SCHEMBL1200168 0.81 EPHX1 (0.49) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL132134 0.81 EPHX1 (0.47) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL181642 0.81 CYP19A1 (0.40) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL181316 0.81 CYP19A1 (0.40) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL181317 0.81 CYP19A1 (0.40) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL3345151 0.80 CYP19A1 (0.47) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL29328630 0.80 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 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-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
EP-2245012-B1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD (GB) 2013-07-03 EP 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-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US 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 (4 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 EPHX1 887/4885CYP19A1 387/4885NAAA 362/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 EPHX1 1882/4885CYP19A1 577/4885NAAA 334/4885
US-20110034520-A1 Inhibitors of P38 Map Kinase MAPK3, MAPK1, MAPKAPK3 EPHX1 656/4885CYP19A1 1233/4885NAAA 2390/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 EPHX1 982/4885CYP19A1 534/4885NAAA 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.