SCHEMBL9948682

SCHEMBL9948682

COCc1noc(-c2ccccc2CO)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHUK O15111 1/20 0.43
TXNRD1 Q16881 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SMPD1 P17405 2/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 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
SCHEMBL9949734 0.86 NPC1 (0.44) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL12868306 0.80 NOTUM (0.45) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL9949703 0.80 PPARG (0.46) L3MBTL1NPC1RAB9ATDP1NPSR1
SCHEMBL7404351 0.79 L3MBTL1 (0.45) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL95911 0.78 NOTUM (0.57) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL15448320 0.76 CYP4F2 (0.46) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL2094070 0.75 NOTUM (0.62) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL1957044 0.74 MAPT (0.45) NOTUML3MBTL1CHUKTXNRD1NOX4
SCHEMBL5735832 0.73 GPR55 (0.70) NOTUML3MBTL1NPC1RAB9ATDP1
SCHEMBL96973 0.70 TDP1 (0.44) NOTUML3MBTL1NPC1RAB9ATDP1

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 NOTUM 3068/4885L3MBTL1 2291/4885NPC1 383/4885

“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.