SCHEMBL9948635

SCHEMBL9948635

Cc1cnc(-c2ccccc2COC(=O)c2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL4577944 0.78 PPARG (0.65) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL471706 0.75 PPARG (0.61) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL5085480 0.72 PPARG (0.71) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL9949703 0.72 PPARG (0.46) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL19484241 0.72 RAB9A (0.65) KMT2ATDP1TSHRNPC1RAB9A
SCHEMBL7855029 0.70 TDP1 (0.45) PPARGKMT2ATDP1SMN1; SMN2NPC1
SCHEMBL5860477 0.69 PPARG (0.61) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL17225267 0.68 TDP1 (0.54) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL19889126 0.68 FAAH (0.54) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL1546656 0.68 TDP1 (0.46) PPARGKMT2ATDP1SLC6A2SLC6A3

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 PPARG 1769/4885KMT2A 1555/4885TDP1 1603/4885

“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.