SCHEMBL2133994

SCHEMBL2133994

Cc1ccnc(N2CCC3(CCCC(=O)N3Cc3ccccc3-n3nccn3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.53
HCRTR2 O43614 17/20 0.53
KCNH2 Q12809 1/20 0.44
LTC4S Q16873 1/20 0.44
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2728001 0.83 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1RXFP1
SCHEMBL2134232 0.82 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2132039 0.80 HCRTR1 (0.55) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2130316 0.80 HCRTR1 (0.82) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2135421 0.79 HCRTR1 (0.65) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2134161 0.79 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2131256 0.79 HCRTR2 (0.67) HCRTR1HCRTR2
SCHEMBL2135914 0.78 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2LTC4SALDH1A1
SCHEMBL2130550 0.78 HCRTR1 (0.52) HCRTR1HCRTR2KCNH2LTC4SALDH1A1
SCHEMBL6422576 0.77 HCRTR1 (0.41) HCRTR1HCRTR2KCNH2LTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US claimed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US claimed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 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 (2 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-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R HCRTR1 2/4885HCRTR2 1/4885KCNH2 1356/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 HCRTR1 3936/4885HCRTR2 3715/4885KCNH2 1009/4885

“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.