SCHEMBL9949771

SCHEMBL9949771

COc1cccc(-c2oc(C)nc2CN2CCNC3(CCN(c4nc(C)cc(OC)n4)CC3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.43
SLC6A3 Q01959 10/20 0.43
SLC6A4 P31645 9/20 0.43
HCRTR1 O43613 8/20 0.42
HCRTR2 O43614 8/20 0.42
CES2 O00748 1/20 0.38
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
SCHEMBL9949233 0.95 HCRTR1 (0.46) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9949879 0.93 HCRTR1 (0.45) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL12700480 0.92 HCRTR1 (0.42) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9948794 0.91 HCRTR1 (0.39) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9948567 0.91 HCRTR1 (0.41) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9950283 0.90 HCRTR1 (0.44) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9948690 0.90 HCRTR1 (0.41) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9948925 0.89 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9949369 0.86 HCRTR1 (0.43) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2
SCHEMBL9949086 0.86 HCRTR1 (0.51) SLC6A2SLC6A3SLC6A4HCRTR1HCRTR2

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 SLC6A2 319/4885SLC6A3 156/4885SLC6A4 693/4885

“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.