SCHEMBL9948831

SCHEMBL9948831

COc1cccc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.69
HCRTR1 O43613 16/20 0.69
HTR1A P08908 1/20 0.69
TSPO P30536 1/20 0.69

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
SCHEMBL2132895 0.95 HCRTR2 (0.76) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9949088 0.85 HCRTR2 (0.92) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2133899 0.85 HCRTR2 (0.71) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131123 0.83 HCRTR2 (0.75) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2136758 0.83 HCRTR2 (0.75) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131717 0.83 HCRTR2 (0.69) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9949618 0.83 HCRTR2 (0.77) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948879 0.82 HCRTR2 (0.66) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2130953 0.82 HCRTR2 (0.75) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2132228 0.82 HCRTR2 (0.75) HCRTR2HCRTR1HTR1ATSPO

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 6 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

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.