SCHEMBL6922833

SCHEMBL6922833

CCOc1cccc(N2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.69
HTR7 P34969 6/20 0.54
HTR1A P08908 4/20 0.54
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3A P46098 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
SIGMAR1 Q99720 4/20 0.54
HTR2C P28335 3/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 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
Bromoethane SCHEMBL8198933 0.95 ADRB1 (0.63) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL11544382 0.88 ADRB1 (0.65) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL11718659 0.87 HTR2C (0.54) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL7077985 0.87 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL11055213 0.85 ADRB1 (0.51) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL9506055 0.85 MEN1 (0.58) ADRB1TP53CYP3A4HTTMEN1
SCHEMBL12251455 0.83 ALDH1A1 (0.57) ADRB1TP53CYP3A4CYP1A2CYP2D6
SCHEMBL7368853 0.82 ADRB1 (0.55) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL12251546 0.82 ADRA2C (0.57) HTR1AHTR3ATP53CYP3A4MEN1
SCHEMBL7838014 0.81 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B

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 26 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
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-1622880-B1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
CN-1145620-A New piperazine derivatives and its prepn. SAMJIN PHARM CO LTD (KR) 1997-03-19 CN disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 WO disclosed
US-5281594-A Dopamine antagonist, Parkinson's disease and drug addiction THE UPJOHN COMPANY (US) 1994-01-25 US disclosed
EP-0347305-B1 [(Aryl-4-piperazinyl-1)-2-ethoxy]-3 p cymene, the ortho-, meta-, para-monosubstituted or disubstituted phenyl ring derivatives, process for their preparation and medicaments containing the same as the active principle INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1993-05-12 EP disclosed
EP-0536279-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1993-04-14 EP disclosed
US-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed
WO-1992000282-A1 SUBSTITUTED 1-(ALKOXYPHENYL)PIPERAZINES WITH CNS AND ANTIHYPERTENSIVE ACTIVITY THE UPJOHN COMPANY (US) 1992-01-09 WO disclosed
EP-0445116-A1 [(ARYL-4-PIPERAZINYL-1)-2 ETHOXY]-3 P-CYMENE, THE ORTHO, META AND PARA DERIVATIVES MONO- OR DISUBSTITUTED ON THE PHENYL NUCLEUS OF SAID PRODUCT, PROCESS FOR PREPARING SAID DERIVATIVES, AND DRUGS CONTAINING SAID COMPOUNDS AS ACTIVE INGREDIENTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (IRCEBA) (FR) 1991-09-11 EP disclosed
WO-1989012634-A1 [(ARYL-4-PIPERAZINYL-1)-2 ETHOXY]-3 P-CYMENE, THE ORTHO, META AND PARA DERIVATIVES MONO- OR DISUBSTITUTED ON THE PHENYL NUCLEUS OF SAID PRODUCT, PROCESS FOR PREPARING SAID DERIVATIVES, AND DRUGS CONTAINING SAID COMPOUNDS AS ACTIVE INGREDIENTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES AP (FR) 1989-12-28 WO disclosed
EP-0347305-A1 [(Aryl-4-piperazinyl-1)-2-ethoxy]-3 p cymene, the ortho-, meta-, para-monosubstituted or disubstituted phenyl ring derivatives, process for their preparation and medicaments containing the same as the active principle INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1989-12-20 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 ADRB1 4283/4885HTR7 1185/4885HTR1A 1790/4885
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 3589/4885HTR7 1551/4885HTR1A 433/4885
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 3589/4885HTR7 1551/4885HTR1A 433/4885

“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.