SCHEMBL424580

SCHEMBL424580

Cc1cccc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
FABP4 P15090 2/20 0.42
NOTUM Q6P988 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
BUB1 O43683 1/20 0.40
BCHE P06276 1/20 0.40
AKT1 P31749 1/20 0.40
HTR6 P50406 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38

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
SCHEMBL18487086 0.85 L3MBTL1 (0.45) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL3836430 0.85 L3MBTL1 (0.45) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL2878283 0.84 SCN9A (0.44) L3MBTL1FABP4NOTUMBRD4CREBBP
SCHEMBL30763696 0.84 NOTUM (0.63) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL29507058 0.84 L3MBTL1 (0.44) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL1284244 0.84 L3MBTL1 (0.44) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL3237691 0.84 L3MBTL1 (0.44) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL2878376 0.84 NOTUM (0.63) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL18788881 0.84 L3MBTL1 (0.44) L3MBTL1NOTUMBRD4CREBBPBUB1
SCHEMBL29507077 0.84 L3MBTL1 (0.44) L3MBTL1NOTUMBRD4CREBBPBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909047-A SST as selective somatostatin5Cyclohexapeptides as receptor agonists 奈克斯拉制药英国有限公司 2024-11-08 CN disclosed
US-11987648-B2 Cyclohexapeptides as selective somatostatin SST5 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-05-21 US disclosed
US-20210363188-A1 CYCLOHEXAPEPTIDES AS SELECTIVE SOMATOSTATIN SST5 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2021-11-25 US disclosed
EP-3864026-A1 CYCLOHEXAPEPTIDES AS SELECTIVE SOMATOSTATIN SST5 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2021-08-18 EP disclosed
CN-113195517-A As selective somatostatin SST5Cyclohexapeptides of receptor agonists 赫普泰雅治疗有限公司 2021-07-30 CN disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
WO-2011008725-A2 METAL-CATALYZED CARBON-FLUORINE BOND FORMATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 WO disclosed
WO-2011008618-A1 METAL-CATALYZED CARBON-FLUORINE BOND FORMATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-01-20 WO disclosed
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP 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 (6 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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 L3MBTL1 4596/4885FABP4 4042/4885NOTUM 2517/4885
US-11987648-B2 Cyclohexapeptides as selective somatostatin SST5 receptor agonists SSTR5, SSTR1, SSTR3 L3MBTL1 2068/4885FABP4 2399/4885NOTUM 4612/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 L3MBTL1 4596/4885FABP4 4042/4885NOTUM 2517/4885
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 L3MBTL1 4509/4885FABP4 4879/4885NOTUM 2547/4885
US-20210363188-A1 CYCLOHEXAPEPTIDES AS SELECTIVE SOMATOSTATIN SST5 RECEPTOR AGONISTS SSTR5, SSTR1, SSTR3 L3MBTL1 2068/4885FABP4 2399/4885NOTUM 4612/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 L3MBTL1 3527/4885FABP4 3904/4885NOTUM 2987/4885

“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.