SCHEMBL9948744

SCHEMBL9948744

Cc1cc(C)nc(N2CCC3(CC2)OCCNC3=O)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 11/20 0.43
SLC6A3 Q01959 11/20 0.43
SLC6A4 P31645 10/20 0.43
NPSR1 Q6W5P4 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
USP2 O75604 1/20 0.39
GBA1 P04062 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL9948983 0.90 SLC6A2 (0.49) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL2132069 0.76 HCRTR1 (0.46) KDM4EHPGDHSD17B10ALDH1A1NPSR1
SCHEMBL9949050 0.72 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL9948445 0.72 KMT2A (0.50) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL31580621 0.67 GAA (0.31) ALDH1A1
SCHEMBL22148549 0.67 KMT2A (0.53) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL9948964 0.67 HCRTR2 (0.51) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9948587 0.66 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL19398306 0.66 HSD11B1 (0.35) KDM4EALDH1A1KMT2A
SCHEMBL19398304 0.66 HSD11B1 (0.35) KDM4EALDH1A1KMT2A

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
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
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 KDM4E 4231/4885HPGD 2756/4885HSD17B10 1178/4885

“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.