SCHEMBL4087156

SCHEMBL4087156

CCN(CC)C(C)NC(=O)c1cc(Cl)c(N)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.61
HTR3A P46098 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
SLC22A1 O15245 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
MPO P05164 1/20 0.61
ADRA2A P08913 1/20 0.61
DRD2 P14416 1/20 0.61
ADRA2C P18825 1/20 0.61
DRD4 P21917 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
DRD3 P35462 1/20 0.61
HTR2B P41595 1/20 0.61

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
SCHEMBL8247499 0.84 GAA (0.68) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL9153713 0.84 HTR4 (0.41) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL9152344 0.83 HTR4 (0.43) HTR4HTR3ACYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL4158811 0.81 RAB9A (0.45) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL10371973 0.80 ALDH1A1 (0.41) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL11408654 0.79 ALDH1A1 (0.45) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL5925585 0.79 GAA (0.60) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL7751850 0.79 GAA (0.71) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL11395774 0.78 ALDH1A1 (0.41) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL3102868 0.78 HTR4 (0.70) HTR4HTR3ACYP1A2CYP2D6HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241797-B2 Method of increasing milk production UNIVERSITY OF CINCINNATI (US) 2007-07-10 US claimed
US-20030139420-A1 Method of increasing milk production NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-24 US claimed
EP-0652767-B1 TREATMENT OF HUMAN LACTATION FAILURE PHARMACIA & UPJOHN AB (SE) 1999-09-15 EP claimed
EP-0652767-A1 TREATMENT OF HUMAN LACTATION FAILURE Pharmacia AB (SE) 1995-05-17 EP claimed
WO-1992002245-A1 TREATMENT OF HUMAN LACTATION FAILURE KABI PHARMACIA AB (SE) 1992-02-20 WO claimed
JP-4208259-A None JP disclosed
CN-117686642-A Ion chromatography detection method for residual reagent dimethyl sulfate in medicine 绪必迪药业(沧州)有限公司 2024-03-12 CN disclosed
CN-114652690-B New metoclopramide preparation for intestinal obstruction and process thereof 山东新时代药业有限公司 2023-03-21 CN disclosed
CN-114652690-A New metoclopramide preparation for intestinal obstruction and process thereof 山东新时代药业有限公司 2022-06-24 CN disclosed
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
US-20090203940-A1 Method for preparing 4-[2-(dimethylamino)ethoxy]benzylamine as itopride-hydrocloride salt mediate IL-YANG PHARM. CO., LTD. (KR) 2009-08-13 US disclosed
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 EP disclosed
EP-0305008-A2 Tumor or cancer cell killing therapy and agents useful therefor OXI-GENE, INC. (US) 1989-03-01 EP disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed
EP-0234872-A1 Carboxamides useful as antiemetic or antipsychotic agents Erbamont Inc. (US) 1987-09-02 EP disclosed
EP-0147044-A2 Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them ADRIA LABORATORIES INC. (US) 1985-07-03 EP disclosed
US-4109005-A METHOD OF INCREASING RATE OF GASTRIC EMPTYING WITH PYRROLIDINYLBENZAMIDES A. H. ROBINS COMPANY, INC. (US) 1978-08-22 US disclosed
US-4041032-A ANTIEMATICS, GASTRIC MOTILITY STIMULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 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-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 HTR4 2993/4885HTR3A 1831/4885CYP1A2 1149/4885
US-20090203940-A1 Method for preparing 4-[2-(dimethylamino)ethoxy]benzylamine as itopride-hydrocloride salt mediate KCNN1, HCN4, KCNN2 HTR4 201/4885HTR3A 430/4885CYP1A2 132/4885
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A HTR4 7/4885HTR3A 1/4885CYP1A2 1262/4885

“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.