SCHEMBL4925469

SCHEMBL4925469

COc1cc(Cl)cc(N2CCNCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.77
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
CHRM1 P11229 1/20 0.68
CHRM3 P20309 1/20 0.68
HTR3E A5X5Y0 5/20 0.62
HTR3B O95264 5/20 0.62
HTR3A P46098 5/20 0.62
HTR3D Q70Z44 5/20 0.62
HTR3C Q8WXA8 5/20 0.62
SIGMAR1 Q99720 3/20 0.62
HTR1A P08908 3/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL443521 0.88 ADRB1 (1.00) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL18577062 0.86 ADRB1 (0.96) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7229934 0.84 ADRB1 (0.55) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL254693 0.82 ADRB1 (1.00) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2873315 0.81 ADRB1 (0.80) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5686228 0.81 ADRB1 (0.86) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8891314 0.80 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5682967 0.80 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17893823 0.80 ADRB1 (0.49) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL6965885 0.80 ADRB1 (0.96) ADRB1CHRM2CHRM4CHRM1CHRM3

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 11 patents. 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
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (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-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 3589/4885CHRM2 4257/4885CHRM4 4010/4885
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 3589/4885CHRM2 4257/4885CHRM4 4010/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 ADRB1 1852/4885CHRM2 1610/4885CHRM4 2745/4885

“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.