SCHEMBL1639581

SCHEMBL1639581

COc1cc(N2CCNC[C@@H]2C)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.48
HTR2B P41595 9/20 0.48
HTR2A P28223 8/20 0.48
RAD52 P43351 1/20 0.45
ADAMTS5 Q9UNA0 4/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
ADAMTS4 O75173 1/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL1639678 1.00 HTR2C (0.48) HTR2CHTR2BHTR2ARAD52ADAMTS5
SCHEMBL1639584 1.00 HTR2C (0.48) HTR2CHTR2BHTR2ARAD52ADAMTS5
SCHEMBL19709328 0.86 ALK (0.45) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL19709390 0.85 NOTUM (0.42) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL19709298 0.85 HTR2C (0.46) HTR2CHTR2BHTR2ARAD52ADAMTS5
SCHEMBL5632277 0.84 SLC6A2 (0.58) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL5631570 0.84 SLC6A2 (0.58) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL5631575 0.84 SLC6A2 (0.58) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL19709333 0.84 KDR (0.46) HTR2CHTR2BHTR2ARAD52SLC6A2
SCHEMBL21098716 0.84 KDR (0.46) HTR2CHTR2BHTR2ARAD52SLC6A2

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 47 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
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
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 US disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US 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 (9 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 HTR2C 980/4885HTR2B 312/4885HTR2A 570/4885
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 HTR2C 744/4885HTR2B 1192/4885HTR2A 1266/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 HTR2C 744/4885HTR2B 1192/4885HTR2A 1266/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 HTR2C 744/4885HTR2B 1192/4885HTR2A 1266/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 HTR2C 1210/4885HTR2B 752/4885HTR2A 2521/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR2C 547/4885HTR2B 793/4885HTR2A 588/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR2C 547/4885HTR2B 793/4885HTR2A 588/4885
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 HTR2C 980/4885HTR2B 312/4885HTR2A 570/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR2C 547/4885HTR2B 872/4885HTR2A 653/4885

“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.