SCHEMBL8520540

SCHEMBL8520540

COc1ccc(Cn2c(CNC(=O)OC(C)(C)C)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
MKNK2 Q9HBH9 1/20 0.42
KLKB1 P03952 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
DYRK1A Q13627 1/20 0.39
CTSL P07711 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL325745 0.88 DYRK1A (0.42) MKNK2KMT2ADYRK1AP2RX3
SCHEMBL14275291 0.82 MKNK2 (0.40) MKNK2MEN1KMT2AALDH1A1MAPT
SCHEMBL326895 0.81 PTPN11 (0.40) MKNK2KLKB1MEN1KMT2AALDH1A1
SCHEMBL326115 0.81 CA12 (0.44) MTNR1AMTNR1BMKNK2MEN1KMT2A
SCHEMBL325790 0.81 MKNK2 (0.41) MTNR1AMTNR1BMKNK2MEN1KMT2A
SCHEMBL7652554 0.77 NPC1 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL14463668 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL325145 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14900195 0.74 ALDH1A1 (0.48) MTNR1AMEN1KMT2AALDH1A1MAPT
SCHEMBL12530438 0.74 PROKR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 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-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 (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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR MTNR1A 139/4885MTNR1B 59/4885MKNK2 432/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR MTNR1A 69/4885MTNR1B 43/4885MKNK2 752/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 MTNR1A 75/4885MTNR1B 47/4885MKNK2 1545/4885

“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.