SCHEMBL9948869

SCHEMBL9948869

COc1cccc(-c2ocnc2CN2CCNC3(CCN(c4nccc(OC)n4)CC3)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.45
HCRTR2 O43614 9/20 0.45
HTR1A P08908 1/20 0.45
TSPO P30536 1/20 0.45
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GSK3B P49841 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CASP1 P29466 2/20 0.34
CYP2C19 P33261 2/20 0.34
CASP7 P55210 2/20 0.34

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
SCHEMBL9948903 0.93 HCRTR1 (0.41) HCRTR1HCRTR2HTR1ATSPODRD2
SCHEMBL9948925 0.90 SLC6A2 (0.42) HCRTR1HCRTR2HTR1ATSPOSLC6A2
SCHEMBL9950283 0.89 HCRTR1 (0.44) HCRTR1HCRTR2HTR1ATSPODRD2
SCHEMBL9948877 0.89 HCRTR1 (0.44) HCRTR1HCRTR2DRD2DRD4DRD3
SCHEMBL12700557 0.85 HCRTR1 (0.40) HCRTR1HCRTR2GSK3BSLC6A2SLC6A4
SCHEMBL9948791 0.84 HCRTR1 (0.41) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948690 0.82 HCRTR1 (0.41) HCRTR1HCRTR2HTR1ATSPODRD2
SCHEMBL9948745 0.81 HCRTR1 (0.38) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948978 0.81 HCRTR1 (0.46) HCRTR1HCRTR2HTR1ATSPOEGLN1
SCHEMBL9949771 0.79 SLC6A2 (0.43) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3

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 7 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
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 607/4885HTR1A 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.