SCHEMBL9949084

SCHEMBL9949084

Cc1cncc(N2CCC3(CC2)COC(=O)N3Cc2cccc3[nH]ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.53
HCRTR1 O43613 13/20 0.53
PDE2A O00408 1/20 0.37
DAO P14920 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
ATR Q13535 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 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
SCHEMBL9949617 0.89 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL9949135 0.88 HCRTR2 (0.55) HCRTR2HCRTR1PDE2APIK3CDPIK3CA
SCHEMBL9948958 0.86 HCRTR2 (0.66) HCRTR2HCRTR1PDE2A
SCHEMBL9948911 0.84 HCRTR1 (0.73) HCRTR2HCRTR1
SCHEMBL2135877 0.84 HCRTR2 (0.74) HCRTR2HCRTR1PDE2A
SCHEMBL2136234 0.74 HCRTR2 (0.73) HCRTR2HCRTR1CCNCCDK8
SCHEMBL2130371 0.74 HCRTR2 (0.70) HCRTR2HCRTR1OPRM1OPRK1OPRL1
SCHEMBL9959007 0.74 HCRTR1 (0.72) HCRTR2HCRTR1
SCHEMBL9949573 0.73 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL2131719 0.73 HCRTR2 (0.74) 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
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO claimed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US claimed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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 (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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HCRTR2 607/4885HCRTR1 593/4885PDE2A 567/4885

“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.