SCHEMBL836939

SCHEMBL836939

O=C(O)c1cccc(N2CCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.60
HSD11B1 P28845 6/20 0.58
KDM4E B2RXH2 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ACMSD Q8TDX5 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HSD17B14 Q9BPX1 1/20 0.53
CNR1 P21554 1/20 0.47
PRKCQ Q04759 3/20 0.45
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TTR P02766 1/20 0.44
PTGER1 P34995 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
SCHEMBL1781915 0.98 HSD11B1 (0.61) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL31432279 0.98 HSD11B1 (0.61) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL14879835 0.96 GNE (0.56) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL12469440 0.86 PRKCA (0.62) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL10002521 0.86 HSD11B1 (0.58) HSD11B1KDM4ETSHRHSD17B14CNR1
SCHEMBL27896675 0.86 HSD17B14 (0.64) GNEHSD11B1HSD17B14CNR1PRKCQ
SCHEMBL2638000 0.85 HTR3A (0.58) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL1779262 0.85 KMO (0.55) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL29483989 0.85 KMO (0.55) GNEHSD11B1KDM4EALOX15TSHR
SCHEMBL27415238 0.85 PRKCA (0.59) GNEHSD11B1KDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
JP-2011529057-A 2011-12-01 JP claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 CN disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 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-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GNE 3623/4885HSD11B1 318/4885KDM4E 2749/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA GNE 531/4885HSD11B1 490/4885KDM4E 1366/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R GNE 1400/4885HSD11B1 50/4885KDM4E 2523/4885

“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.