SCHEMBL326895

SCHEMBL326895

COc1ccc(Cn2c(C#CCNC(=O)OC(C)(C)C)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CTSL P07711 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CCR9 P51686 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 1/20 0.36
KLKB1 P03952 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8520540 0.81 MTNR1A (0.44) MKNK2AAK1MEN1KMT2AMAPT
SCHEMBL326115 0.80 CA12 (0.44) MKNK2AAK1MEN1KMT2AP2RX3
SCHEMBL14275291 0.79 MKNK2 (0.40) MKNK2AAK1MEN1KMT2AMAPT
SCHEMBL325745 0.78 DYRK1A (0.42) MKNK2KMT2AHDAC1HDAC11HDAC8
SCHEMBL325790 0.77 MKNK2 (0.41) MKNK2AAK1MEN1KMT2AMAPT
SCHEMBL14900195 0.71 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL31639031 0.71 MKNK2 (0.40) MKNK2ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL10254906 0.71 PDE5A (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL325420 0.71 P2RX3 (0.41) MAPTALDH1A1HDAC1P2RX3GAA
SCHEMBL10254278 0.69 MAPT (0.47) MEN1KMT2AMAPTALDH1A1LMNA

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
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
WO-2012006003-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
WO-2012006003-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
EP-1869006-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1866290-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2007-12-19 EP disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 US disclosed
WO-2006104715-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006104713-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR PTPN11 4211/4885MKNK2 432/4885DDB1 4525/4885
US-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR PTPN11 4117/4885MKNK2 752/4885DDB1 3813/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PTPN11 4117/4885MKNK2 752/4885DDB1 3813/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 PTPN11 4176/4885MKNK2 1545/4885DDB1 3094/4885

“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.