SCHEMBL5363594

SCHEMBL5363594

COc1cccc(N2CCNCC2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.73
DRD2 P14416 2/20 0.73
HTR3E A5X5Y0 2/20 0.73
HTR3B O95264 2/20 0.73
HTR3D Q70Z44 2/20 0.73
HTR3C Q8WXA8 2/20 0.73
ADRB1 P08588 2/20 0.73
CYP2C19 P33261 1/20 0.73
DRD3 P35462 1/20 0.73
HTR6 P50406 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
HTR1A P08908 4/20 0.68
HTR7 P34969 4/20 0.66
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL29786229 1.00 HTR3A (0.73) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL27261438 0.85 ADRB1 (0.57) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL8109063 0.85 HTR3A (0.60) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL379 0.84 HTR3A (1.00) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL29396943 0.84 HTR3A (1.00) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL7310094 0.84 KMT2A (0.54) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL6366499 0.84 HTR3A (1.00) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL31348240 0.83 ADRB1 (0.65) HTR3ADRD2HTR3EHTR3BHTR3D
SCHEMBL5372329 0.83 HTR6 (0.73) HTR3ADRD2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6602545 0.83 LMNA (1.00) HTR3ADRD2HTR3EHTR3BHTR3D

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377846-B Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
CN-111377846-A Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2020-07-07 CN disclosed
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
CN-1392140-A Organic compound with bis-4-dicyanomethylene pyran ring and synthetic method and application thereof PHYSICAL & CHEMICAL TECHNOLOGY (CN) 2003-01-22 CN disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed
EP-0527081-B1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PF MEDICAMENT (FR) 1996-01-03 EP disclosed
EP-0527081-A1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PIERRE FABRE MEDICAMENT (FR) 1993-02-10 EP 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 HTR3A 1159/4885DRD2 2/4885HTR3E 1510/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR3A 1159/4885DRD2 2/4885HTR3E 1510/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR3A 1159/4885DRD2 2/4885HTR3E 1510/4885

“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.