SCHEMBL9948745

SCHEMBL9948745

COCc1cccc(-c2ocnc2CN2CCNC3(CCN(c4nc(C)cc(OC)n4)CC3)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.38
HCRTR2 O43614 12/20 0.38
GRM5 P41594 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A3 Q01959 6/20 0.35
SLC6A4 P31645 5/20 0.35
CES2 O00748 1/20 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
SCHEMBL9949057 0.95 HCRTR1 (0.41) HCRTR1HCRTR2GRM5CES2
SCHEMBL12700558 0.92 HCRTR1 (0.38) HCRTR1HCRTR2GRM5CES2
SCHEMBL9948925 0.91 SLC6A2 (0.42) HCRTR1HCRTR2SLC6A2SLC6A3SLC6A4
SCHEMBL9949076 0.90 HCRTR1 (0.38) HCRTR1HCRTR2GRM5SLC6A2SLC6A3
SCHEMBL9948794 0.89 HCRTR1 (0.39) HCRTR1HCRTR2SLC6A2SLC6A3SLC6A4
SCHEMBL9948877 0.86 HCRTR1 (0.44) HCRTR1HCRTR2SLC6A2SLC6A3SLC6A4
SCHEMBL9949015 0.84 HCRTR1 (0.43) HCRTR1HCRTR2CES2
SCHEMBL12700557 0.83 HCRTR1 (0.40) HCRTR1HCRTR2SLC6A2SLC6A3SLC6A4
SCHEMBL9948791 0.82 HCRTR1 (0.41) HCRTR1HCRTR2SLC6A2SLC6A3SLC6A4
SCHEMBL2131622 0.82 HCRTR1 (0.57) HCRTR1HCRTR2

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 5 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
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 607/4885GRM5 2278/4885

“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.