SCHEMBL3652160

SCHEMBL3652160

COc1ccc(Cn2c(NCCNc3cc(C)ccc3[N+](=O)[O-])nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 18/20 0.60
PROKR2 Q8NFJ6 3/20 0.52
P2RX3 P56373 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3656391 0.81 PROKR1 (0.57) PROKR1PROKR2P2RX3MEN1USP2
SCHEMBL326449 0.78 PROKR1 (0.82) PROKR1PROKR2P2RX3MEN1USP2
SCHEMBL13801510 0.76 PROKR1 (0.59) PROKR1PROKR2P2RX3
SCHEMBL8528608 0.76 PROKR1 (0.74) PROKR1PROKR2
SCHEMBL5960121 0.75 PROKR1 (0.73) PROKR1PROKR2
SCHEMBL325491 0.75 PROKR1 (0.76) PROKR1PROKR2
SCHEMBL325742 0.73 PROKR1 (0.68) PROKR1PROKR2P2RX3MEN1USP2
SCHEMBL14407558 0.73 MAPT (0.58) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL8520244 0.73 PROKR1 (0.65) PROKR1PROKR2P2RX3
SCHEMBL8280003 0.73 PROKR1 (0.63) PROKR1PROKR2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 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 (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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885P2RX3 1228/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885P2RX3 1228/4885

“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.