SCHEMBL2510992

SCHEMBL2510992

CCCOc1ccc(C)nc1C(=O)N1CCCC[C@H]1Cc1cn2cccc(F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.42
HCRTR2 O43614 11/20 0.42
TP53 P04637 1/20 0.40
REN P00797 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL2539332 0.99 HCRTR1 (0.42) HCRTR1HCRTR2TP53RENKDM4E
SCHEMBL2486761 0.92 HSD17B10 (0.44) HCRTR1HCRTR2TP53RENKDM4E
SCHEMBL2515332 0.92 HSD17B10 (0.44) HCRTR1HCRTR2TP53RENKDM4E
SCHEMBL12225898 0.91 HCRTR2 (0.43) HCRTR1HCRTR2KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2531693 0.91 HCRTR2 (0.42) HCRTR1HCRTR2KDM4EHPGDHSD17B10
SCHEMBL12225897 0.90 HCRTR2 (0.42) HCRTR1HCRTR2KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2532176 0.89 HCRTR2 (0.41) HCRTR1HCRTR2KDM4EHPGDHSD17B10
SCHEMBL2533031 0.88 HCRTR2 (0.41) HCRTR1HCRTR2TP53REN
SCHEMBL2511884 0.87 HCRTR2 (0.43) HCRTR1HCRTR2TP53REN
SCHEMBL2486972 0.87 HCRTR2 (0.43) HCRTR1HCRTR2TP53REN

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
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 HCRTR1 2/4885HCRTR2 1/4885TP53 4885/4885

“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.