SCHEMBL3399254

SCHEMBL3399254

CN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 1.00
DRD3 P35462 15/20 1.00
DRD4 P21917 5/20 0.65
HTR1A P08908 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRB1 P08588 1/20 0.62
BCL2A1 Q16548 1/20 0.61
DRD5 P21918 1/20 0.55
ADRA2C P18825 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAD52 P43351 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
SCHEMBL3399574 0.93 DRD2 (0.87) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL424507 0.86 DRD2 (0.75) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL12359055 0.83 DRD2 (0.71) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3398184 0.82 DRD2 (0.70) DRD2DRD3DRD4ADRB1DRD5
SCHEMBL8452211 0.82 DRD2 (0.69) DRD2DRD3DRD4ADRB1DRD5
SCHEMBL24309229 0.81 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL6002186 0.81 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3597338 0.81 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL2782258 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL8318459 0.81 DRD2 (0.68) DRD2DRD3DRD4HTR2AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
US-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-03-09 US disclosed
WO-2022187206-A1 DUAL-TARGET MU OPIOID AND DOPAMINE D3 RECEPTORS LIGANDS; PREPARATION AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-09-09 WO disclosed
EP-4053110-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-07 EP disclosed
WO-2021083246-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-05-06 WO disclosed
WO-2020156312-A1 POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 WO disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
US-8580786-B2 Triazine derivatives and their therapeutical applications NANT HOLDINGS IP, LLC (US) 2013-11-12 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
EP-1625116-B1 PROCESS FOR THE PREPARATION OF CARBOSTYRIL DERIVATIVES,SUCH AS ARIPIPRAZOLE AND ITS INTERMEDIATES DELMAR CHEMICALS INC (CA) 2007-08-08 EP disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 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 (6 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-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF GRM4, GRM5, GRIA4 DRD2 343/4885DRD3 367/4885DRD4 387/4885
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 DRD2 2894/4885DRD3 2290/4885DRD4 2223/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA DRD2 313/4885DRD3 477/4885DRD4 263/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA DRD2 313/4885DRD3 477/4885DRD4 263/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 DRD2 3/4885DRD3 10/4885DRD4 19/4885
US-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 DRD2 2/4885DRD3 7/4885DRD4 4/4885

“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.