SCHEMBL2489210

SCHEMBL2489210

CCOc1ccc(CC)nc1C(=O)N1CCCC[C@H]1Cc1cn2ccc(C)c(C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.42
HCRTR1 O43613 7/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RAB9A P51151 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
SCHEMBL2489214 1.00 HCRTR2 (0.42) HCRTR2HCRTR1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL2534821 0.99 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL2490041 0.99 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATSHR
SCHEMBL2513353 0.93 HCRTR1 (0.45) HCRTR2HCRTR1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL2533566 0.92 HCRTR1 (0.44) HCRTR2HCRTR1MEN1KMT2ATSHR
SCHEMBL2511884 0.86 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL2486972 0.86 HCRTR2 (0.43) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL2512239 0.85 HCRTR2 (0.42) HCRTR2HCRTR1
SCHEMBL2509592 0.85 HCRTR2 (0.42) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL2536527 0.85 HCRTR2 (0.42) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US claimed
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 HCRTR2 1/4885HCRTR1 2/4885MEN1 1418/4885

“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.