SCHEMBL915344

SCHEMBL915344

CCOC(=O)c1cc2c(OCC3CCC3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.45
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL913908 0.98 SRD5A2 (0.45) SRD5A2KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL915206 0.85 SRD5A2 (0.62) SRD5A2KDM4EALDH1A1RAB9ALMNA
SCHEMBL9588071 0.84 ALDH1A1 (0.45) SRD5A2KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL913236 0.82 SRD5A2 (0.62) SRD5A2KDM4EALDH1A1RAB9ALMNA
SCHEMBL15099347 0.80 KDM4E (0.49) SRD5A2KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL16047779 0.80 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL914174 0.80 SRD5A2 (0.64) SRD5A2KDM4EALDH1A1RAB9ALMNA
SCHEMBL699482 0.80 FLT3 (0.60) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL914490 0.79 KDM4E (0.54) SRD5A2KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL24019696 0.79 KMT2A (0.54) SRD5A2KDM4EALDH1A1RAB9AKMT2A

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-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 849/4885KDM4E 4266/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885KDM4E 4275/4885ALDH1A1 1732/4885
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 SRD5A2 934/4885KDM4E 777/4885ALDH1A1 123/4885

“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.