SCHEMBL12043303

SCHEMBL12043303

CCn1c(=O)nc(C(=O)OC)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TPH1 P17752 3/20 0.35
▸ TPH2 Q8IWU9 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ P2RX3 P56373 2/20 0.33

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
SCHEMBL8279958 0.81 LMNA (0.40) KDM4EKMT2AMEN1PDE4AADORA2A
SCHEMBL8279956 0.66 CYP1A2 (0.36) KDM4EKMT2AMEN1PDE4AADORA2A
SCHEMBL11479633 0.66 MAT2A (0.41) KDM4EKMT2AMEN1PDE4AADORA2A
SCHEMBL25544494 0.65 KMT2A (0.48) KDM4EKMT2AMEN1PDE4AADORA2A
SCHEMBL27355637 0.63 ALDH1A1 (0.41) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL31094700 0.63 ALDH1A1 (0.41) PTGER4KDM4EKMT2AMEN1PDE4A
SCHEMBL12794035 0.63 MEN1 (0.48) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL20529258 0.63 KMT2A (0.55) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL25543387 0.62 KMT2A (0.48) KDM4EKMT2AMEN1PDE4AADORA2A
SCHEMBL15690079 0.62 NPSR1 (0.43) KDM4EKMT2AMEN1ALDH1A1HSD17B10

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 6 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-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 — — US 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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 — — US 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 PTGER4 424/4885KDM4E 4865/4885KMT2A 4161/4885
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PTGER4 1221/4885KDM4E 4839/4885KMT2A 4301/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 PTGER4 348/4885KDM4E 4840/4885KMT2A 4398/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PTGER4 1221/4885KDM4E 4839/4885KMT2A 4301/4885

“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.

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