SCHEMBL4771370

SCHEMBL4771370

CCn1c(=O)cc(C)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.50
POLB P06746 3/20 0.46
CYP1A2 P05177 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.39
PDE4A P27815 2/20 0.39
ADORA2A P29274 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39

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
SCHEMBL4467734 0.84 TSHR (0.43) ALDH1A1SMN1; SMN2TSHRBLMKDM4E
SCHEMBL8768828 0.82 SMN1; SMN2 (0.42) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL1702032 0.81 TSHR (0.55) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL9420356 0.80 ALDH1A1 (0.60) ALDH1A1GAAPOLBCYP1A2KMT2A
SCHEMBL4767676 0.79 B3GNT2 (0.43) ALDH1A1GAAKMT2ASMN1; SMN2MEN1
SCHEMBL1948128 0.78 ALDH1A1 (0.51) ALDH1A1GAAPOLBCYP1A2KMT2A
SCHEMBL9008302 0.78 ALDH1A1 (0.51) ALDH1A1GAAPOLBCYP1A2KMT2A
SCHEMBL220200 0.78 KMT2A (0.57) ALDH1A1GAAPOLBCYP1A2KMT2A
SCHEMBL126983 0.77 KMT2A (0.44) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6243233 0.77 KMT2A (0.55) ALDH1A1POLBKMT2ASMN1; SMN2MEN1

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 28 patents — showing the first 20. 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-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
EP-0060955-B1 SUBSTITUTED URACILS CONTAINING A 2-TETRAHYDROPYRANYL GROUP, PROCESS FOR THEIR PREPARATION AND PESTICIDAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1985-05-08 EP disclosed
EP-0060955-A1 Substituted uracils containing a 2-tetrahydropyranyl group, process for their preparation and pesticidal compositions containing them ROUSSEL-UCLAF (FR) 1982-09-29 EP 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 (10 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 ALDH1A1 4503/4885GAA 1369/4885POLB 3943/4885
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR ALDH1A1 3674/4885GAA 1110/4885POLB 3963/4885
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ALDH1A1 1178/4885GAA 3483/4885POLB 1001/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ALDH1A1 1573/4885GAA 1224/4885POLB 4192/4885
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR ALDH1A1 3729/4885GAA 1392/4885POLB 4287/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR ALDH1A1 3674/4885GAA 1110/4885POLB 3963/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR ALDH1A1 3674/4885GAA 1110/4885POLB 3963/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ALDH1A1 1729/4885GAA 1266/4885POLB 4256/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR ALDH1A1 3305/4885GAA 1518/4885POLB 3577/4885
US-20120245077-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR ALDH1A1 3305/4885GAA 1518/4885POLB 3577/4885

“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.