SCHEMBL2832801

SCHEMBL2832801

O=C(O)NC[C@H]1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRB2 P47870 2/20 0.57
SLC6A12 P48065 2/20 0.57
SLC6A11 P48066 2/20 0.57
SLC6A13 Q9NSD5 2/20 0.57
GABRA1 P14867 1/20 0.57
GABRR1 P24046 1/20 0.57
GABRA4 P48169 1/20 0.57
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMYD3 Q9H7B4 2/20 0.44
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 2/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CPN1 P15169 1/20 0.37

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
SCHEMBL2836599 1.00 SLC6A1 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL856745 1.00 SLC6A1 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Bromide SCHEMBL23881409 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL3830642 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL15662845 0.98 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2768724 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5649078 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL477374 0.89 CYP2D6 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL477247 0.88 ALOX15 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL4020092 0.87 CYP2D6 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed
CN-108779123-A Fused tetracyclic compound, its composition and purposes 泰博生物科技有限公司 2018-11-09 CN disclosed
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
EP-2166847-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
WO-2008156718-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 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 (2 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-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP SLC6A1 3724/4885GABRA5 1738/4885GABRB2 2467/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ SLC6A1 3713/4885GABRA5 2296/4885GABRB2 2134/4885

“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.