SCHEMBL4915902

SCHEMBL4915902

COc1c(Cl)cccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 5/20 0.64
▸ DRD2 P14416 4/20 0.63
▸ DRD3 P35462 4/20 0.63
▸ HTR1A P08908 8/20 0.57
▸ DRD4 P21917 2/20 0.57
▸ HTR2A P28223 2/20 0.57
▸ HTR2C P28335 2/20 0.57
▸ HTR3A P46098 5/20 0.57
▸ HTR3E A5X5Y0 2/20 0.57
▸ HTR3B O95264 2/20 0.57
▸ HTR3D Q70Z44 2/20 0.57
▸ HTR3C Q8WXA8 2/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTR6 P50406 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTR7 P34969 3/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ CYP1A2 P05177 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
SCHEMBL26770332 0.85 KDM4E (0.47) ADRB1DRD2DRD3HTR1ADRD4
SCHEMBL29786229 0.82 HTR3A (0.73) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL31348240 0.82 ADRB1 (0.65) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL5363594 0.82 HTR3A (0.73) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL27261438 0.81 ADRB1 (0.57) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL30952462 0.81 ADRB1 (0.57) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL19709597 0.81 ADRB1 (0.57) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL9820624 0.81 DRD2 (0.42) ADRB1DRD2DRD3HTR1ADRD4
SCHEMBL29446047 0.79 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5785574 0.79 ADRB1 (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 24 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
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 — — EP disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 — — US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 — — 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
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-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 — — WO disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 — — WO 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
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO 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 (7 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A ADRB1 114/4885DRD2 64/4885DRD3 176/4885
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 ADRB1 3589/4885DRD2 4028/4885DRD3 3973/4885
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-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 ADRB1 273/4885DRD2 248/4885DRD3 474/4885
US-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 ADRB1 75/4885DRD2 645/4885DRD3 519/4885
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-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 ADRB1 3589/4885DRD2 4028/4885DRD3 3973/4885

“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.

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