SCHEMBL3020451

SCHEMBL3020451

COc1ccccc1N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.70
DRD3 P35462 4/20 0.70
CYP2C19 P33261 2/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
ADRB1 P08588 1/20 0.68
HTR3A P46098 1/20 0.68
HTR6 P50406 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
MAPT P10636 3/20 0.66
LMNA P02545 1/20 0.66
USP2 O75604 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
DRD4 P21917 1/20 0.58
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58

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
SCHEMBL3174809 1.00 DRD2 (0.70) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3165674 0.98 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
Hydrochloric Acid SCHEMBL26690632 0.96 MAPT (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30407688 0.94 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3418188 0.84 DRD2 (0.87) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL27741084 0.83 NPC1 (0.55) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3401668 0.83 DRD2 (0.63) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL2702662 0.83 HTR3A (0.87) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL327835 0.82 DRD2 (1.00) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL1267564 0.82 DRD2 (0.68) DRD2DRD3CYP2C19HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338892-A1 5-[2-[N-(2-amino-2-oxo-ethyl)methylamino]ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-5H-1,5-benzothiazepin-4-one derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1989-10-25 EP claimed
CN-109593089-A The preparation of diaza spiro decane piperidine formyl amine compound and application 西南大学 2019-04-09 CN disclosed
CN-107428730-A New 1,3,5 triazine radical PI3K inhibitor as antitumor and anticancer agent and preparation method thereof 科学与工业研究会 2017-12-01 CN disclosed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
EP-3083588-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
EP-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
WO-2002098367-A2 HYBRID 2-AMINOTETRALIN AND ARYL-SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE IN ALTERING CNS ACTIVITY WAYNE STATE UNIVERSITY (US) 2002-12-12 WO disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
EP-0360685-B1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1994-02-02 EP disclosed
EP-0360685-A1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-03-28 EP disclosed
EP-0338892-A1 5-[2-[N-(2-amino-2-oxo-ethyl)methylamino]ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-5H-1,5-benzothiazepin-4-one derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1989-10-25 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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 DRD2 3/4885DRD3 2/4885CYP2C19 714/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 DRD2 445/4885DRD3 684/4885CYP2C19 49/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 DRD2 725/4885DRD3 932/4885CYP2C19 9/4885

“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.