SCHEMBL584834

SCHEMBL584834

COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 6/20 0.43
MAPT P10636 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL7722108 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1967676 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL18313954 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL585389 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1975610 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL15151157 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1975652 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP3A4HSD17B10
SCHEMBL60188 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL14210999 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL18555624 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023204308-A1 OXAZEPINE DERIVATIVE 帝人ファーマ株式会社 2023-10-26 WO disclosed
WO-2023017541-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1-((2R,4R)-2-(1H-BENZO[D]IMIDAZOL-2-YL)-1-METHYL PIPERIDIN-4-YL)-3-(4-CYANOPHENYL)UREA MALEATE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-02-16 WO disclosed
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
EP-2167492-B1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI SCIENCE CO LTD (KR) 2015-10-14 EP disclosed
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-8772492-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-07-08 US disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
WO-2008077555-A2 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1856095-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2007-11-21 EP disclosed
WO-2006090163-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-31 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 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 (1 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CHRM2 458/4885CHRM1 486/4885CHRM3 821/4885

“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.