SCHEMBL9949254

SCHEMBL9949254

Cc1cc(C)nc(N2CCC3(CC2)NCCN(Cc2nn(C)cc2-c2cccc(OCC(C)C)c2)C3=O)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.55
HCRTR2 O43614 11/20 0.55
SCN9A Q15858 4/20 0.37
CES2 O00748 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
SLC16A3 O15427 3/20 0.33
SLC16A1 P53985 3/20 0.33
MCTS1 Q9ULC4 2/20 0.33

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
SCHEMBL9948730 0.91 HCRTR1 (0.56) HCRTR1HCRTR2SCN9ACES2
SCHEMBL9948696 0.91 HCRTR1 (0.53) HCRTR1HCRTR2SCN9ACES2
SCHEMBL9948927 0.90 HCRTR1 (0.61) HCRTR1HCRTR2CES2
SCHEMBL9948322 0.89 HCRTR1 (0.54) HCRTR1HCRTR2SCN9ACES2SLC16A3
SCHEMBL9948737 0.88 HCRTR1 (0.56) HCRTR1HCRTR2SCN9A
SCHEMBL9948948 0.88 HCRTR1 (0.56) HCRTR1HCRTR2SCN9ACES2SLC16A3
SCHEMBL9948796 0.87 HCRTR1 (0.59) HCRTR1HCRTR2CES2
SCHEMBL9949343 0.87 HCRTR1 (0.62) HCRTR1HCRTR2CES2
SCHEMBL9948875 0.87 HCRTR1 (0.58) HCRTR1HCRTR2CES2
SCHEMBL9948786 0.86 HCRTR1 (0.72) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US claimed
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 HCRTR1 593/4885HCRTR2 607/4885SCN9A 458/4885

“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.