SCHEMBL597286

SCHEMBL597286

COc1cccc(OC)c1C(=O)N1CCC(=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTT P42858 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL29944122 0.83 KMT2A (0.63) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL7439797 0.83 HTT (0.72) GAAKDM4EALDH1A1TSHRHSD17B10
SCHEMBL4095413 0.78 CCR5 (0.46) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL7440511 0.77 PKM (0.54) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL551755 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL17502662 0.76 KDM4E (0.60) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL17502672 0.76 KMT2A (0.55) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL8230247 0.76 SMN1; SMN2 (0.55) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL8230119 0.76 SMN1; SMN2 (0.48) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL24016841 0.75 ALDH1A1 (0.59) GAASMN1; SMN2KDM4EALDH1A1TSHR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951708-B1 PIPERAZINE DERIVATIVE USEFUL AS A CCR5 ANTAGONIST MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
EP-1632479-B1 Pharmaceutical compositions comprising CCR5 antagonizing piperazine derivatives SCHERING CORP (US) 2011-01-12 EP disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
CN-101326178-A Piperazine derivatives useful as CCR5 antagonists SCHERING CORP (US) 2008-12-17 CN disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
EP-1951708-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2008-08-06 EP disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 WO disclosed
US-20060105964-A1 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION 2006-05-18 US disclosed
EP-1632479-A2 Piperazine derivatives useful as ccr5 antagonists SCHERING CORPORATION (US) 2006-03-08 EP disclosed
EP-1175401-B1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORP (US) 2005-07-20 EP disclosed
US-20040067961-A1 Piperazine derivatives useful as CCR5 antagonists MERCK SHARP & DOHME CORP. 2004-04-08 US disclosed
US-6689765-B2 VIRICIDES; ANTIINFLAMMATORY AGENTS SCHERING CORPORATION 2004-02-10 US disclosed
US-20030069252-A1 Piperazine derivatives useful as CCR5 antagonists MERCK SHARP & DOHME CORP. 2003-04-10 US disclosed
US-6391865-B1 AIDS THERAPY; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; SKIN DISORDERS SCHERING CORPORATION 2002-05-21 US disclosed
EP-1175401-A1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2002-01-30 EP disclosed
WO-2000066558-A1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2000-11-09 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 (4 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 GAA 4738/4885SMN1; SMN2 3676/4885KDM4E 3872/4885
US-20030069252-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 GAA 4710/4885SMN1; SMN2 3412/4885KDM4E 4257/4885
US-20040067961-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 GAA 4710/4885SMN1; SMN2 3412/4885KDM4E 4257/4885
US-20060105964-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 GAA 4795/4885SMN1; SMN2 3785/4885KDM4E 4161/4885

“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.