SCHEMBL10278617

SCHEMBL10278617

COc1ccc(Cn2c(CCc3cccc(N)n3)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
APP P05067 1/20 0.43
TYMS P04818 1/20 0.43
PNP P00491 1/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
PDE5A O76074 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PROKR1 Q8TCW9 4/20 0.40
PROKR2 Q8NFJ6 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
P2RX4 Q99571 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL10254279 0.83 MAPT (0.47) MAPTTHRBPDE5AP2RX4ALDH1A1
SCHEMBL326139 0.81 PDE1B (0.44) BACE1APPTYMSMAPTTHRB
SCHEMBL14037825 0.79 MAPT (0.43) BACE1APPTYMSPNPMAPT
SCHEMBL10254544 0.78 MAPT (0.48) BACE1TYMSPNPMAPTTHRB
SCHEMBL326810 0.77 PROKR2 (0.45) TYMSPNPMAPTTHRBPDE5A
SCHEMBL10254277 0.76 MAPT (0.47) MAPTTHRBPDE5ATSHRALDH1A1
SCHEMBL326654 0.76 MAPT (0.41) TYMSPNPMAPTTHRBPDE5A
SCHEMBL325145 0.75 ALDH1A1 (0.49) TYMSMAPTTHRBPDE5AP2RX4
SCHEMBL14463668 0.75 ALDH1A1 (0.49) MAPTTHRBPDE5APROKR1PROKR2
SCHEMBL4769739 0.74 PROKR1 (0.60) PROKR1PROKR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 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
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
WO-2007079214-A2 PROKINETICIN 2 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 (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 BACE1 2220/4885APP 2590/4885TYMS 4300/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR BACE1 2940/4885APP 1821/4885TYMS 3977/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR BACE1 4016/4885APP 2658/4885TYMS 4021/4885

“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.