SCHEMBL714998

SCHEMBL714998

COC1CNCCC1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 7/20 0.39
GBA1 P04062 1/20 0.38
CTSD P07339 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14197407 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL8246025 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL728811 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL9759607 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL29258683 0.82 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL26121856 0.82 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL8245028 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL748784 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL13566529 0.79 OPRM1 (0.50) SLC6A2SLC6A4
SCHEMBL29218400 0.79 OPRM1 (0.47) SLC6A2SLC6A4

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 73 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-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 SLC6A2 162/4885SLC6A4 215/4885SLC6A3 325/4885
US-20230158010-A1 LUMINALLY-ACTING N-(PIPERIDIN-4-YL)BENZAMIDE DERIVATIVES HTR4, HTR1A, HTR1D SLC6A2 746/4885SLC6A4 87/4885SLC6A3 506/4885
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 SLC6A2 162/4885SLC6A4 215/4885SLC6A3 325/4885

“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.