SCHEMBL9948852

SCHEMBL9948852

COc1ccc2[nH]cc(CN3CCNC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.76
HCRTR1 O43613 8/20 0.76
HTR1A P08908 5/20 0.56
TSPO P30536 1/20 0.46
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
DRD4 P21917 3/20 0.43

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
SCHEMBL9949001 0.88 HCRTR2 (0.58) HCRTR2HCRTR1HTR1A
SCHEMBL9948757 0.87 HCRTR2 (0.73) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9949156 0.85 HCRTR2 (0.63) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948732 0.85 HCRTR1 (0.55) HCRTR2HCRTR1HTR1A
SCHEMBL9948734 0.84 HCRTR2 (0.75) HCRTR2HCRTR1HTR1ATSPODRD2
SCHEMBL9949089 0.81 HCRTR2 (0.62) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948976 0.79 HCRTR2 (0.71) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948608 0.78 HCRTR2 (0.54) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2133545 0.78 HCRTR2 (0.82) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948764 0.78 HCRTR2 (0.74) 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 5 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
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.