SCHEMBL325420

SCHEMBL325420

COc1ccc(Cn2c(C#Cc3cccc(NC(=O)C(F)(F)F)n3)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.41
MAPT P10636 5/20 0.37
TBXA2R P21731 2/20 0.36
PROKR1 Q8TCW9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 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
SCHEMBL326654 0.80 MAPT (0.41) P2RX3MAPTPROKR1HDAC1GAA
SCHEMBL10254278 0.76 MAPT (0.47) MAPTRXFP1GAATHRBKDM4E
SCHEMBL326895 0.71 PTPN11 (0.40) P2RX3MAPTHDAC1GAAALDH1A1
SCHEMBL10254906 0.70 PDE5A (0.49) MAPTPROKR1THRBKDM4EALDH1A1
SCHEMBL10254276 0.69 MAPT (0.44) MAPTRAB9ARXFP1GAATHRB
SCHEMBL10254901 0.68 L3MBTL1 (0.41) RAB9AKDM4E
SCHEMBL317425 0.67 L3MBTL1 (0.40) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL324610 0.65 MAPT (0.44) MAPTNPC1RXFP1TP53THRB
SCHEMBL27174639 0.64 RGS4 (0.49) P2RX3MAPTGAATHRBALDH1A1
SCHEMBL13801523 0.64 ALDH1A1 (0.48) MAPTGAATHRBKDM4EALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR P2RX3 710/4885MAPT 4202/4885TBXA2R 289/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR P2RX3 710/4885MAPT 4202/4885TBXA2R 289/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR P2RX3 628/4885MAPT 4090/4885TBXA2R 144/4885

“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.