SCHEMBL9948933

SCHEMBL9948933

COc1cc(C)nc(N2CCC3(CCN(Cc4nn(C)nc4-c4ccccc4)C3=O)C2)n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.70
HCRTR2 O43614 18/20 0.70
HTR1A P08908 1/20 0.37
TSPO P30536 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9949265 0.93 HCRTR2 (0.60) HCRTR1HCRTR2HTR1ATSPOHSD17B10
SCHEMBL9948727 0.93 HCRTR2 (0.60) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9949689 0.87 HCRTR2 (0.91) HCRTR1HCRTR2HSD17B10
SCHEMBL9948854 0.85 HCRTR1 (0.49) HCRTR1HCRTR2HTR1ATSPOCYP1A2
SCHEMBL9948971 0.79 HCRTR1 (0.72) HCRTR1HCRTR2HSD17B10
SCHEMBL9948694 0.78 HCRTR1 (0.56) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL2130838 0.77 HCRTR2 (0.73) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9948671 0.76 HCRTR1 (0.60) HCRTR1HCRTR2CYP1A2CYP2C9TSHR
SCHEMBL2132180 0.76 HCRTR2 (0.72) HCRTR1HCRTR2HTR1ATSPO
SCHEMBL9948984 0.76 HCRTR1 (0.72) HCRTR1HCRTR2CYP1A2CYP2C9TSHR

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.