SCHEMBL4777193

SCHEMBL4777193

CS(=O)(=O)N1CCC(C(=O)N(CCCCl)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.67
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL2518892 0.93 CCR5 (0.61) CCR5
SCHEMBL16503435 0.86 CCR5 (0.56) CCR5
SCHEMBL4775197 0.86 NPSR1 (0.56) CCR5
SCHEMBL4768738 0.85 POLB (0.56) CCR5MEN1KMT2A
SCHEMBL4775504 0.85 CCR5 (0.73) CCR5
SCHEMBL4776500 0.85 CCR5 (0.70) CCR5
SCHEMBL4773903 0.84 CCR5 (0.67) CCR5
SCHEMBL4774079 0.83 CCR5 (0.75) CCR5
SCHEMBL12207023 0.82 CCR5 (0.86) CCR5
SCHEMBL4773828 0.81 CCR5 (0.66) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-8034921-B2 Chemokine receptors (CCR5); double stranded RNA; gene knockout ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2008-10-16 US disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-7049441-B2 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-23 US disclosed
US-20060094877-A1 Process for preparation of benzylpiperidine compounds MIKI SHOKYO 2006-05-04 US disclosed
US-20050038257-A1 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-17 US disclosed
US-6833457-B1 Process for preparation of benzylpiperidine compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-21 US disclosed
EP-1359145-A1 PROCESS FOR PREPARATION OF BENZYLPIPERIDINE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-11-05 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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 (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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 CCR5 1/4885MEN1 3414/4885KMT2A 3682/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 CCR5 1/4885MEN1 2216/4885KMT2A 2421/4885
US-20050038257-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 CCR5 3023/4885MEN1 1277/4885KMT2A 691/4885
US-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 CCR5 1/4885MEN1 3414/4885KMT2A 3682/4885
US-20060094877-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 CCR5 3023/4885MEN1 1277/4885KMT2A 691/4885

“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.