SCHEMBL9948746

SCHEMBL9948746

Cc1cc(C)nc(N2CCC3(CC2)NCCN(Cc2nn(C)cc2-c2cccc(Cl)c2)C3=O)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.60
HCRTR1 O43613 12/20 0.60
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN11 Q06124 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL9949343 0.92 HCRTR1 (0.62) HCRTR2HCRTR1KDM4EHRH4
SCHEMBL9948786 0.91 HCRTR1 (0.72) HCRTR2HCRTR1ALDH1A1KDM4E
SCHEMBL9948768 0.90 HCRTR2 (0.60) HCRTR2HCRTR1PTPN11
SCHEMBL9948991 0.90 HCRTR1 (0.59) HCRTR2HCRTR1
SCHEMBL9949163 0.89 HCRTR1 (0.59) HCRTR2HCRTR1ALDH1A1PTPN11
SCHEMBL9948927 0.89 HCRTR1 (0.61) HCRTR2HCRTR1KDM4EL3MBTL1MAPT
SCHEMBL9949134 0.89 HCRTR1 (0.59) HCRTR2HCRTR1ALDH1A1HRH4
SCHEMBL9948998 0.89 HCRTR1 (0.59) HCRTR2HCRTR1ALDH1A1KDM4E
SCHEMBL9948796 0.89 HCRTR1 (0.59) HCRTR2HCRTR1ALDH1A1KDM4E
SCHEMBL9949046 0.88 HCRTR1 (0.58) HCRTR2HCRTR1ALDH1A1KDM4EHRH4

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 HCRTR2 607/4885HCRTR1 593/4885ALDH1A1 44/4885

“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.