SCHEMBL8689

SCHEMBL8689

Cc1cccc(N2CCNCC2)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.69
DRD2 P14416 2/20 0.69
DRD3 P35462 2/20 0.69
HTR1A P08908 9/20 0.64
HTR2A P28223 2/20 0.64
DRD4 P21917 1/20 0.64
HTR2C P28335 1/20 0.64
HTR7 P34969 2/20 0.60
HTR3A P46098 8/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
NCF1 P14598 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL30839792 1.00 ADRB1 (0.69) ADRB1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL30183272 0.98 ADRB1 (0.67) ADRB1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5373698 0.98 ADRB1 (0.67) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL24388809 0.83 DRD2 (0.50) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL29367982 0.81 DRD2 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL218837 0.81 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL18829750 0.81 GAA (0.50) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL8511 0.81 DRD2 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL29699369 0.81 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL6352699 0.81 DRD2 (1.00) ADRB1DRD2DRD3HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 CN disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 CN 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
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
US-6121267-A ADMINISTERING DOPAMINE ANTAGONIST TO TREAT PSYCHOLOGICAL DISORDER, I.E., SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
US-5965560-A AS DOPAMINE ANTAGONISTS AND ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1999-10-12 US disclosed
WO-1997041108-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-06 WO disclosed
EP-0367141-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1996-01-10 EP disclosed
US-5006528-A Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0367141-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 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 (4 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 ADRB1 10/4885DRD2 327/4885DRD3 801/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU ADRB1 3264/4885DRD2 3134/4885DRD3 3450/4885

“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.