SCHEMBL2010645

SCHEMBL2010645

Cc1cnc(-c2cccc(C(=O)O)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
DDT P30046 1/20 0.50
MYC P01106 1/20 0.50
KMO O15229 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
VDR P11473 1/20 0.46
KEAP1 Q14145 1/20 0.45
VCP P55072 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
MAPK1 P28482 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43

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
SCHEMBL31607764 1.00 NR1H4 (0.51) NR1H4DDTMYCKMOL3MBTL1
SCHEMBL12171787 0.82 VCP (0.52) NR1H4DDTMYCKMOL3MBTL1
SCHEMBL12171789 0.80 NR1H4 (0.62) NR1H4DDTMYCKMOL3MBTL1
Acetic Acid SCHEMBL27258981 0.79 TSHR (0.50) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL30957335 0.78 HSD17B1 (0.62)
SCHEMBL7833548 0.77 ADH5 (0.46) NR1H4MYCL3MBTL1NPC1RAB9A
SCHEMBL11579267 0.77 NPC1 (0.66) MYCKMOL3MBTL1NPC1RAB9A
SCHEMBL12266934 0.77 RAB9A (0.56) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16572042 0.77 MYC (0.61) NR1H4MYCKMOL3MBTL1NPC1
SCHEMBL12796869 0.76 NPC1 (0.56) NR1H4DDTKMOL3MBTL1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 EP 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
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 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
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO 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-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 NR1H4 352/4885DDT 109/4885MYC 957/4885
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R NR1H4 136/4885DDT 237/4885MYC 2425/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 NR1H4 381/4885DDT 107/4885MYC 788/4885

“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.