SCHEMBL9949703

SCHEMBL9949703

COCc1noc(-c2ccccc2COC(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
KMT2A Q03164 2/20 0.46
SMPD1 P17405 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39

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
SCHEMBL9948682 0.80 NOTUM (0.45) PPARGKMT2ASMPD1CHRM2CHRM4
SCHEMBL9949734 0.77 NPC1 (0.44) PPARGKMT2ASMPD1CHRM2CHRM4
SCHEMBL4577944 0.75 PPARG (0.65) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL9948635 0.72 PPARG (0.46) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL5085480 0.70 PPARG (0.71) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL3227191 0.70 MAPT (0.41) PPARGKMT2ASMPD1TDP1SLC6A2
SCHEMBL471706 0.69 PPARG (0.61) PPARGKMT2ATDP1SLC6A2SLC6A3
SCHEMBL27426639 0.68 NPC1 (0.56) KMT2ASMPD1NPC1RAB9AL3MBTL1
SCHEMBL95911 0.67 NOTUM (0.57) TDP1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL6667180 0.67 PPARG (0.58) 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 1555/4885SMPD1 1303/4885

“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.