SCHEMBL9949217

SCHEMBL9949217

COc1ccc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.59
HCRTR2 O43614 11/20 0.59
KMT2A Q03164 2/20 0.39
CES2 O00748 1/20 0.36
RET P07949 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 2/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9948999 0.93 HCRTR1 (0.55) HCRTR1HCRTR2KMT2ACES2RET
SCHEMBL9948927 0.91 HCRTR1 (0.61) HCRTR1HCRTR2KMT2ACES2TDP1
SCHEMBL9948825 0.90 HCRTR1 (0.55) HCRTR1HCRTR2KMT2ACES2TDP1
SCHEMBL9948904 0.90 HCRTR1 (0.57) HCRTR1HCRTR2CES2RET
SCHEMBL12700481 0.90 HCRTR1 (0.61) HCRTR1HCRTR2HPGDHSD17B10
SCHEMBL9948786 0.90 HCRTR1 (0.72) HCRTR1HCRTR2RETHPGDHSD17B10
SCHEMBL9948996 0.90 HCRTR1 (0.53) HCRTR1HCRTR2KMT2ACES2RET
SCHEMBL9949033 0.89 HCRTR1 (0.59) HCRTR1HCRTR2HTR1A
SCHEMBL9949343 0.86 HCRTR1 (0.62) HCRTR1HCRTR2KMT2ACES2
SCHEMBL9948969 0.85 HCRTR1 (0.53) HCRTR1HCRTR2KMT2ACES2HTR1A

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 4 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
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 607/4885KMT2A 1555/4885

“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.