SCHEMBL232950

SCHEMBL232950

COc1ccc(Cl)cc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 1.00
HTR3B O95264 2/20 1.00
HTR3A P46098 2/20 1.00
HTR3D Q70Z44 2/20 1.00
HTR3C Q8WXA8 2/20 1.00
HTR6 P50406 14/20 0.64
ADRB1 P08588 1/20 0.61
DRD2 P14416 1/20 0.61
CYP2C19 P33261 1/20 0.61
DRD3 P35462 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR1A P08908 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54

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
Hydrochloric Acid SCHEMBL1714119 0.98 HTR3A (0.97) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL5374136 0.90 HTR3A (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2869866 0.87 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31651894 0.87 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5370408 0.83 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4658417 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4336114 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31652018 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3973132 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2349863 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 EP disclosed
EP-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 EP disclosed
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis GALAPAGOS NV (BE) 2020-11-10 US disclosed
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis GALAPAGOS NV (BE) 2020-11-10 US disclosed
US-20190315719-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-17 US disclosed
US-20190315719-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-17 US disclosed
WO-2017211666-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2017-12-14 WO disclosed
CN-103936650-B Acid imide Phenylpiperazine derivatives and salt, preparation method and purposes GUANGZHOU MEDICAL UNIVERSITY (CN) 2016-01-20 CN disclosed
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
EP-0522915-B1 Pyrimidine-4-carboxamide derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1996-03-13 EP disclosed
US-5420130-A Adrenergic blocking agents SYNTHELABO (FR) 1995-05-30 US disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 EP disclosed
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN disclosed
US-5244901-A Multistage preparation by starting with a phenylpiperazine and an epoxide or chloro alcohol containing a phthalimido group; use to treat disorders involving hyperactivity of the alpha 1-adrenergic system SYNTHELABO (FR) 1993-09-14 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed
EP-0522915-A1 Pyrimidine-4-carboxamide derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-13 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 (2 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-20190315719-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS ADAMTS5, ADAMTS4, ADAMTS1 HTR3E 381/4885HTR3B 576/4885HTR3A 689/4885
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis ADAMTS5, ADAMTS4, ADAMTS1 HTR3E 381/4885HTR3B 576/4885HTR3A 689/4885

“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.