SCHEMBL311516

SCHEMBL311516

Cc1ccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.40
KDM1A O60341 1/20 0.38
CHEK2 O96017 1/20 0.37
METTL3 Q86U44 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PRMT5 O14744 1/20 0.36
PDE7B Q9NP56 1/20 0.36
ATM Q13315 2/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
HCRTR2 O43614 1/20 0.35
GRM5 P41594 1/20 0.35
OPRK1 P41145 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2124396 0.82 PDE8B (0.41) PDE8BKDM1ACHEK2METTL3ALDH1A1
SCHEMBL2122869 0.80 METTL3 (0.38) PDE8BKDM1ACHEK2METTL3ALDH1A1
SCHEMBL311400 0.79 METTL3 (0.42) PDE8BKDM1ACHEK2METTL3PRMT5
SCHEMBL2123789 0.79 PDE8B (0.41) PDE8BKDM1ACHEK2METTL3ALDH1A1
SCHEMBL2122675 0.79 METTL3 (0.41) PDE8BKDM1ACHEK2METTL3PRMT5
SCHEMBL7787688 0.76 KCNK3 (0.44) PDE8BKDM1ACHEK2METTL3PRMT5
SCHEMBL2124328 0.75 METTL3 (0.49) PDE8BKDM1ACHEK2METTL3ALDH1A1
SCHEMBL311133 0.75 HCRTR1 (0.54) HCRTR2OPRK1
SCHEMBL2512520 0.74 PDE8B (0.42) PDE8BKDM1ACHEK2METTL3ALDH1A1
SCHEMBL22036268 0.73 HPGD (0.49) PDE8BKDM1AALDH1A1ATMOPRK1

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-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
WO-2010060471-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 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 (1 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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 PDE8B 227/4885KDM1A 3905/4885CHEK2 1873/4885

“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.