SCHEMBL613082

SCHEMBL613082

CCCCCC1(C(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SPHK1 Q9NYA1 7/20 0.38
EPHX1 P07099 1/20 0.37
CETP P11597 3/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7197775 0.98 CYP4F2 (0.41) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL5031163 0.98 CYP4F2 (0.41) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL1044919 0.98 CYP4F2 (0.41) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL12273347 0.93 CETP (0.36) CYP4F2CYP4A11SPHK1EPHX1CETP
Hexane SCHEMBL6916261 0.90 SOAT1 (0.44) SPHK1CES2CES1MEN1KMT2A
SCHEMBL5038262 0.90 CETP (0.43) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL5027335 0.90 CYP4F2 (0.46) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL3738398 0.88 CETP (0.48) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL2386979 0.88 CETP (0.48) CYP4F2CYP4A11SPHK1EPHX1CETP
SCHEMBL10823975 0.88 CETP (0.48) CYP4F2CYP4A11SPHK1EPHX1CETP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7070026-A None JP disclosed
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-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP 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
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO 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
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
JP-H0770026-A PRODUCTION OF CARBAMOYLACYLCYCLOPROPANE COMPOUND AND 2-CARBAMOYLACYL-4-BUTANOLIDE COMPOUND TO BE USED THEREFOR FUJI PHOTO FILM CO LTD 1995-03-14 JP 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 CYP4F2 3492/4885CYP4A11 1369/4885SPHK1 275/4885
US-20030069252-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CYP4F2 2453/4885CYP4A11 787/4885SPHK1 272/4885
US-20040067961-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CYP4F2 2453/4885CYP4A11 787/4885SPHK1 272/4885
US-20060105964-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CYP4F2 2454/4885CYP4A11 790/4885SPHK1 398/4885

“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.