SCHEMBL4884756

SCHEMBL4884756

Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
GRM5 P41594 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
USP2 O75604 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9408078 0.83 ALDH1A1 (0.36) CYP11B1CYP11B2NPSR1ADORA3ADORA2A
SCHEMBL1423935 0.81 CYP11B1 (0.33) CYP11B1CYP11B2NPSR1GRM5ADORA3
SCHEMBL3500675 0.81 CYP11B1 (0.33) CYP11B1CYP11B2NPSR1
SCHEMBL8548870 0.81 NPSR1 (0.33) CYP11B1CYP11B2NPSR1GRM5ADORA3
SCHEMBL6197960 0.80 KDM4E (0.45) NPSR1ADORA2ATSHRHSD17B10ALDH1A1
SCHEMBL27766643 0.79 SMN1; SMN2 (0.33) CYP11B1CYP11B2NPSR1GRM5HSD17B10
SCHEMBL950593 0.78 TNF (0.31) CYP11B1CYP11B2
SCHEMBL10676751 0.78 NOTUM (0.36) CYP11B1CYP11B2NPSR1ADORA2ATSHR
SCHEMBL15649336 0.78 BRD4 (0.34) CYP11B1CYP11B2GRM5ALDH1A1KDM4E
SCHEMBL5326782 0.78 BRD4 (0.32) CYP11B1CYP11B2NPSR1ADORA3ALDH1A1

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-8227498-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 2-cyano(4-ethylphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine PROBIODRUG AG (DE) 2012-07-24 US disclosed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
CN-1989137-A 3- '4- {6-substituted alkanoyl) pyridin-3-yl} -3-phenyl! -5- (1h-1, 2, 3-triazol-1-ylmethyl) -1, 3-oxazolidin-2-ones as antibacterial agents ASTRAZENECA AB (SE) 2007-06-27 CN disclosed
CN-1989134-A 3- {4- (pyridin-3-yl) phenyl} -5- (1h-1, 2, 3-triazol-1-ylmethyl) -1, 3-oxazolidin-2-ones as antibacterial agents ASTRAZENECA AB (SE) 2007-06-27 CN disclosed
EP-1753755-A1 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
EP-1753754-A1 3- '4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116022-A1 3- `4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
WO-2005116023-A1 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L CYP11B1 2947/4885CYP11B2 3260/4885NPSR1 3007/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT CYP11B1 633/4885CYP11B2 855/4885NPSR1 2355/4885
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents MRPL21, ARG1, OXA1L CYP11B1 2574/4885CYP11B2 2807/4885NPSR1 2779/4885

“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.