SCHEMBL1639487

SCHEMBL1639487

COc1cc(N2CCNCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.65
TGFBR1 P36897 2/20 0.58
ACVR1 Q04771 2/20 0.58
ALK Q9UM73 1/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3A P46098 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 3/20 0.55
HTR7 P34969 3/20 0.55
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
BRD4 O60885 2/20 0.53
SUV39H2 Q9H5I1 2/20 0.52
TP53 P04637 1/20 0.50
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
Hydrochloric Acid SCHEMBL27692066 0.98 ADRB1 (0.63) ADRB1TGFBR1ACVR1ALKHTR3E
Hydrochloric Acid SCHEMBL1638699 0.98 ADRB1 (0.63) ADRB1TGFBR1ACVR1ALKHTR3E
SCHEMBL28116633 0.91 ADRB1 (0.53) ADRB1TGFBR1ACVR1ALKHTR3E
SCHEMBL8182707 0.87 ADRB1 (0.65) ADRB1TGFBR1ACVR1ALKHTR3E
SCHEMBL361649 0.85 ADRB1 (0.61) ADRB1TGFBR1ACVR1HTR3EHTR3B
SCHEMBL13682933 0.83 ALDH1A1 (0.58) SUV39H2
SCHEMBL12625177 0.83 ALDH1A1 (0.58) SUV39H2
Hydrochloric Acid SCHEMBL7711565 0.83 ADRB1 (0.59) ADRB1TGFBR1ACVR1HTR3EHTR3B
Hydrochloric Acid SCHEMBL2156292 0.83 ADRB1 (0.59) ADRB1TGFBR1ACVR1HTR3EHTR3B
SCHEMBL2875460 0.83 ADRB1 (0.59) ADRB1TGFBR1ACVR1ALKHTR3E

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 115 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
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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
CN-1155602-C Thineopyranecarboxyamide derivatives ��ޢ��ٻ�ѧ��ҩ��˾ 2004-06-30 CN disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
CN-1139579-C Isoxazolecarboxamide derivatives ��ޢ��ٻ�ѧ��ҩ��˾ 2004-02-25 CN disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
CN-1128139-C Novel piperazine derivative and process for producing the same SAMJIN PHARM CO LTD (KR) 2003-11-19 CN disclosed
CN-1118459-C Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
CN-1379767-A Isoxazole carboxamide derivatives RECORDATI CHEM PHARM (CH) 2002-11-13 CN disclosed
CN-1365363-A thineopyranecarboxyamide derivatives RECORDATI CHEM PHARM (CH) 2002-08-21 CN disclosed
CN-1149051-A Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 1997-05-07 CN disclosed
CN-1145620-A New piperazine derivatives and its prepn. SAMJIN PHARM CO LTD (KR) 1997-03-19 CN 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 (5 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 3589/4885TGFBR1 436/4885ACVR1 331/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 ADRB1 390/4885TGFBR1 791/4885ACVR1 1271/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 ADRB1 390/4885TGFBR1 791/4885ACVR1 1271/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885TGFBR1 368/4885ACVR1 791/4885
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 3589/4885TGFBR1 436/4885ACVR1 331/4885

“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.