SCHEMBL9948734

SCHEMBL9948734

COc1ccc2[nH]cc(CN3CCOC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.75
HCRTR1 O43613 7/20 0.75
HTR1A P08908 5/20 0.55
TSPO P30536 1/20 0.45
HTR4 Q13639 1/20 0.44
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 3/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL9949275 0.88 HCRTR2 (0.57) HCRTR2HCRTR1HTR1A
SCHEMBL9948895 0.87 HCRTR2 (0.71) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9949020 0.85 HCRTR2 (0.62) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948852 0.84 HCRTR2 (0.76) HCRTR2HCRTR1HTR1ATSPODRD2
SCHEMBL9948803 0.81 HCRTR2 (0.63) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948967 0.79 HCRTR2 (0.64) HCRTR2HCRTR1HTR1ATSPODRD2
SCHEMBL9950144 0.78 HCRTR2 (0.73) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL9948818 0.76 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL9948425 0.76 HCRTR2 (0.74) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2133545 0.76 HCRTR2 (0.82) 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.