SCHEMBL730653

SCHEMBL730653

CCOC(=O)N1CCC(N(Cc2ccccc2)Cc2ccccc2)C(OC)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9760026 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9760034 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL7294575 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL7294562 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL7294568 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL13566528 0.87 KMT2A (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1CHRM2
SCHEMBL14286832 0.86 MEN1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL15189740 0.84 L3MBTL1 (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1CHRM2
SCHEMBL3872359 0.84 KMT2A (0.46) MEN1KMT2AL3MBTL1KDM4EBRD4
SCHEMBL14301507 0.79 OPRM1 (0.40) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919909-B1 SYNTHETIC METHODS AND INTERMEDIATES FOR STEREOISOMERIC COMPOUNDS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARMETHEON INC (US) 2013-08-21 EP claimed
US-7326787-B2 Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS, INC. (US) 2008-02-05 US claimed
US-20230158010-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-25 US disclosed
US-20230158010-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-25 US disclosed
US-20230158010-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-25 US disclosed
EP-4146625-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2023-03-15 EP disclosed
CN-115515933-A Translumenally acting N- (piperidin-4-yl) benzamide derivatives 武田药品工业株式会社 2022-12-23 CN disclosed
WO-2021225968-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 WO disclosed
WO-2021225968-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 WO disclosed
US-8524736-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARMETHEON, INC. (US) 2013-09-03 US disclosed
US-8524736-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARMETHEON, INC. (US) 2013-09-03 US disclosed
WO-2007005951-A2 STEREOISOMERIC PYRIDYL AND PYRIDONYL COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. (US) 2007-01-11 WO disclosed
WO-2007005951-A2 STEREOISOMERIC PYRIDYL AND PYRIDONYL COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. (US) 2007-01-11 WO disclosed
EP-1704146-A1 STEREOISOMERIC COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS Aryx Therapeutics (US) 2006-09-27 EP disclosed
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2005-09-08 US disclosed
US-20050176757-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2005-08-11 US disclosed
WO-2005068461-A1 STEREOISOMERIC COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS (US) 2005-07-28 WO disclosed
WO-2005068461-A1 STEREOISOMERIC COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS (US) 2005-07-28 WO disclosed
US-5041454-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
US-4975439-A Gastrointestinal motility stimulating properties JANSSEN PHARMACEUTICAL N.V. (BE) 1990-12-04 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-20050176757-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 MEN1 783/4885KMT2A 3667/4885SMN1; SMN2 95/4885
US-20230158010-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES HTR4, HTR1A, HTR1D MEN1 1932/4885KMT2A 2584/4885SMN1; SMN2 655/4885
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 MEN1 783/4885KMT2A 3667/4885SMN1; SMN2 95/4885

“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.