SCHEMBL3901907

SCHEMBL3901907

CC(=O)N1CCC(C#N)(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.51
SCD O00767 1/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
OPRM1 P35372 3/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRD1 P41143 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3909759 0.87 CA12 (0.46) ALDH1A1LMNASCDCA12CA1
SCHEMBL521737 0.84 SCD (0.43) SCDCA12CA1CA2CA9
SCHEMBL1769324 0.81 PGR (0.46) ALDH1A1LMNASCDOPRM1MAPT
SCHEMBL4656959 0.81 CYP2D6 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL14031243 0.80 CA12 (0.62) ALDH1A1CA12CA1CA2CA9
SCHEMBL24992890 0.79 ALDH1A1 (0.44) ALDH1A1LMNASCDOPRM1MAPT
SCHEMBL521104 0.79 OPRD1 (0.46) LMNASCDCA12CA1CA2
SCHEMBL3909752 0.78 ALDH1A1 (0.55) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL2814643 0.78 ALDH1A1 (0.44) ALDH1A1LMNASCDOPRM1MAPT
SCHEMBL3047350 0.78 PGR (0.43) ALDH1A1LMNASCDOPRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
CN-101472914-B C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV 2015-05-20 CN disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
CN-101472914-A C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 CN disclosed
EP-2016070-A1 INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US 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 (2 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-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ALDH1A1 4702/4885HPGD 4432/4885LMNA 3217/4885
US-20070249680-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ALDH1A1 4702/4885HPGD 4432/4885LMNA 3217/4885

“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.