SCHEMBL9948727

SCHEMBL9948727

COc1cc(C)nc(N2CCC3(CCN(Cc4nn(C)nc4-c4cccc(C)c4)C3=O)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 17/20 0.60
HCRTR1 O43613 16/20 0.60
HTR1A P08908 1/20 0.34
TSPO P30536 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CES2 O00748 1/20 0.32

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
SCHEMBL9949265 0.94 HCRTR2 (0.60) HCRTR2HCRTR1HTR1ATSPOSLC6A2
SCHEMBL9948933 0.93 HCRTR1 (0.70) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948854 0.83 HCRTR1 (0.49) HCRTR2HCRTR1HTR1ATSPOSLC6A2
SCHEMBL9949689 0.79 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL9948694 0.79 HCRTR1 (0.56) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2130838 0.78 HCRTR2 (0.73) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948671 0.78 HCRTR1 (0.60) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL2133584 0.77 HCRTR1 (0.79) HCRTR2HCRTR1
SCHEMBL2132180 0.76 HCRTR2 (0.72) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9949601 0.76 HCRTR1 (0.53) HCRTR2HCRTR1HTR1ATSPOCES2

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 HCRTR2 607/4885HCRTR1 593/4885HTR1A 855/4885

“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.