SCHEMBL9948854

SCHEMBL9948854

COc1cc(C)nc(N2CCC3(CCN(Cc4nn(C)nc4Br)C3=O)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.49
HCRTR2 O43614 13/20 0.49
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTR1A P08908 1/20 0.34
TSPO P30536 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL9948933 0.85 HCRTR1 (0.70) HCRTR1HCRTR2CYP1A2HTR1ATSPO
SCHEMBL9949265 0.83 HCRTR2 (0.60) HCRTR1HCRTR2KDM4EHTR1ATSPO
SCHEMBL9948727 0.83 HCRTR2 (0.60) HCRTR1HCRTR2HTR1ATSPOSLC6A2
SCHEMBL2135359 0.81 HCRTR2 (0.72) HCRTR1HCRTR2
SCHEMBL12501012 0.80 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL9949039 0.74 HCRTR2 (0.70) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9948881 0.74 HCRTR2 (0.55) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9949132 0.73 HCRTR2 (0.55) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9948988 0.72 HCRTR2 (0.71) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL10187221 0.72 HCRTR2 (0.57) HCRTR1HCRTR2HTR1ATSPO

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
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 607/4885MEN1 525/4885

“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.