SCHEMBL9949601

SCHEMBL9949601

COc1cc(-c2nn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.53
HCRTR2 O43614 13/20 0.53
HTR1A P08908 1/20 0.34
TSPO P30536 1/20 0.34
CES2 O00748 1/20 0.32
KIT P10721 3/20 0.32
SORD Q00796 1/20 0.32
CHRNA7 P36544 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9948902 0.88 HCRTR2 (0.54) HCRTR1HCRTR2SORD
SCHEMBL9948671 0.87 HCRTR1 (0.60) HCRTR1HCRTR2CES2KMT2A
SCHEMBL2130838 0.86 HCRTR2 (0.73) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9948971 0.85 HCRTR1 (0.72) HCRTR1HCRTR2KMT2A
SCHEMBL9948490 0.84 HCRTR1 (0.57) HCRTR1HCRTR2CES2
SCHEMBL9949007 0.83 HCRTR1 (0.54) HCRTR1HCRTR2CES2
SCHEMBL9948684 0.82 HCRTR1 (0.54) HCRTR1HCRTR2KITKMT2A
SCHEMBL9948858 0.81 HCRTR1 (0.56) HCRTR1HCRTR2CES2
SCHEMBL9949150 0.80 HCRTR1 (0.56) HCRTR1HCRTR2KMT2A
SCHEMBL9948727 0.76 HCRTR2 (0.60) HCRTR1HCRTR2HTR1ATSPOCES2

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 607/4885HTR1A 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.