SCHEMBL317549

SCHEMBL317549

[CH2]c1cccc2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
KEAP1 Q14145 1/20 0.48
PDPK1 O15530 1/20 0.47
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
BACE1 P56817 1/20 0.41
BCHE P06276 4/20 0.40
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL31492457 0.75 AHR (0.60) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3334473 0.73 AHR (0.58) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL398827 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3876150 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL443938 0.71 AHR (1.00) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL129649 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL20159135 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL446638 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL276716 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL445281 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
EP-1599174-A4 NOVEL COMPOUNDS REPLIDYNE INC (US) 2008-02-27 EP claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
US-20060287360-A1 Novel compounds REPLIDYNE, INC. 2006-12-21 US claimed
EP-1599174-A2 NOVEL COMPOUNDS Replidyne, Inc. (US) 2005-11-30 EP claimed
WO-2004069196-A2 NOVEL COMPOUNDS REPLIDYNE, INC. (US) 2004-08-19 WO claimed

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-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 AHR 3416/4885KEAP1 1813/4885PDPK1 604/4885
US-20060287360-A1 Novel compounds NSUN3, RNGTT, EMG1 AHR 1437/4885KEAP1 3922/4885PDPK1 4104/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR AHR 3334/4885KEAP1 2080/4885PDPK1 590/4885

“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.