SCHEMBL9949343

SCHEMBL9949343

Cc1cccc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.62
HCRTR2 O43614 14/20 0.62
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP2 O75604 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL9948786 0.92 HCRTR1 (0.72) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948768 0.92 HCRTR2 (0.60) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948746 0.92 HCRTR2 (0.60) HCRTR1HCRTR2HRH4KDM4E
SCHEMBL9948991 0.91 HCRTR1 (0.59) HCRTR1HCRTR2KMT2ACES2
SCHEMBL9948927 0.90 HCRTR1 (0.61) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9949163 0.90 HCRTR1 (0.59) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948998 0.90 HCRTR1 (0.59) HCRTR1HCRTR2KDM4ECES2
SCHEMBL9949134 0.90 HCRTR1 (0.59) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9948796 0.90 HCRTR1 (0.59) HCRTR1HCRTR2USP2KDM4ECES2
SCHEMBL9949046 0.90 HCRTR1 (0.58) HCRTR1HCRTR2HRH4KDM4EKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO claimed
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 607/4885SLC6A2 319/4885

“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.