SCHEMBL2133285

SCHEMBL2133285

COCc1cccc(C(=O)C(NC(C)=O)C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PDE5A O76074 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 1/20 0.40
MRGPRX4 Q96LA9 5/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL1398693 0.82 HDAC8 (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2056880 0.81 SLC6A2 (0.52) RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL1398796 0.81 CES2 (0.53) RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2132402 0.81 SLC7A5 (0.47) SLC7A5RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2056862 0.81 CES2 (0.47) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2056927 0.79 KMT2A (0.47) ALDH1A1CA12CA1CA2CA3
SCHEMBL1398728 0.77 NPSR1 (0.57) RAB9AKDM4EALDH1A1MAPTLMNA
SCHEMBL3149977 0.76 MAOB (0.57) RAB9ASMN1; SMN2MRGPRX4TP53PKM
SCHEMBL984477 0.75 GPR139 (0.46) RAB9AALDH1A1NPC1ACACBMRGPRX4
SCHEMBL31276343 0.75 LOXL2 (0.70) SLC7A5RAB9ASMN1; SMN2KDM4EALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
EP-2632924-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2013-09-04 EP disclosed
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
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 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 (3 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-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R SLC7A5 1558/4885RAB9A 2439/4885SMN1; SMN2 2212/4885
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 SLC7A5 2774/4885RAB9A 1200/4885SMN1; SMN2 2847/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 SLC7A5 1571/4885RAB9A 2819/4885SMN1; SMN2 2105/4885

“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.