SCHEMBL317402

SCHEMBL317402

[NH]Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MBOAT4 Q96T53 1/20 0.40
NOTUM Q6P988 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
ADRB1 P08588 1/20 0.38
IDH1 O75874 7/20 0.38
IDH2 P48735 2/20 0.38
MAOB P27338 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
NR3C1 P04150 1/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TAS2R14 Q9NYV8 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
SCHEMBL1111276 0.84 P2RX7 (0.41) P2RX7MBOAT4NOTUMGABRA1GABRG2
SCHEMBL29796472 0.82 P2RX7 (0.44) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL20001983 0.82 P2RX7 (0.44) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL10228848 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMGABRA1GABRG2
SCHEMBL30156698 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL24442229 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMGABRA1GABRG2
SCHEMBL29674423 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMGABRA1GABRG2
SCHEMBL317403 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL1020165 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMGABRA1GABRG2
SCHEMBL129240 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMGABRA1GABRG2

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-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
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 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
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO 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 (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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR P2RX7 778/4885MBOAT4 983/4885NOTUM 4329/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 P2RX7 122/4885MBOAT4 1276/4885NOTUM 3872/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR P2RX7 778/4885MBOAT4 983/4885NOTUM 4329/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR P2RX7 774/4885MBOAT4 833/4885NOTUM 4116/4885

“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.