SCHEMBL946736

SCHEMBL946736

COc1ccccc1N1CCN(CCCCN)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.77
DRD2 P14416 2/20 0.74
DRD3 P35462 1/20 0.74
MEN1 O00255 2/20 0.68
HTR7 P34969 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 4/20 0.67
ADRA1D P25100 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
ALOX12 P18054 1/20 0.67
HIF1A Q16665 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KDM4E B2RXH2 2/20 0.65
GLA P06280 1/20 0.65

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
SCHEMBL30080718 1.00 HTR1A (0.77) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL30080722 1.00 HTR1A (0.77) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL9527924 0.99 HTR1A (0.75) HTR1ADRD2DRD3MEN1HTR7
Hydrochloric Acid SCHEMBL3196123 0.99 HTR1A (0.75) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL29395171 0.96 DRD2 (0.76) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL2215388 0.96 DRD2 (0.76) HTR1ADRD2DRD3MEN1HTR7
Hydrochloric Acid SCHEMBL29072812 0.94 DRD2 (0.74) HTR1ADRD2DRD3MEN1HTR7
Hydrochloric Acid SCHEMBL11047866 0.94 DRD2 (0.74) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL4404160 0.90 DRD2 (0.75) HTR1ADRD2DRD3MEN1HTR7
SCHEMBL6526368 0.90 DRD2 (0.85) HTR1ADRD2DRD3MEN1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329282-B Phenylpiperazine derivative and preparation method and application thereof 新乡医学院 2022-01-07 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP claimed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO claimed
CN-117263843-A Dopamine D 2 Receptor-like dual ligand compounds and uses thereof 常州大学 2023-12-22 CN disclosed
CN-116712435-A Application of dopamine D3 receptor ligand derivative in preparation of antidepressant drugs 新乡医学院 2023-09-08 CN disclosed
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed
CN-108329282-B Phenylpiperazine derivative and preparation method and application thereof 新乡医学院 2022-01-07 CN disclosed
CN-111253325-A Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof 广州大学 2020-06-09 CN disclosed
CN-109419802-A Active compound and application thereof is adjusted with dopamine D 3 receptor 中国人民解放军军事医学科学院毒物药物研究所 2019-03-05 CN disclosed
US-9828352-B2 Phenyl carbamates and their use as inhibitors of the fatty acid amide hydrolase (FAAH) enzyme and modulators of the D3 dopamine receptor (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-11-28 US disclosed
EP-0496692-A1 2-Methoxyphenylpiperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-07-29 EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 EP disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed
US-3966950-A ALPHA-ADRENOLYTIC ACTIVITY ROUSSEL-UCLAF (FR) 1976-06-29 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 (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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 HTR1A 66/4885DRD2 13/4885DRD3 1/4885

“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.