SCHEMBL4773835

SCHEMBL4773835

CC(C)(C)OC(=O)N1CCC(Cn2ncnn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 1/20 0.44
GPR119 Q8TDV5 12/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
BACE1 P56817 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7556808 0.90 GPR119 (0.41) KDM4EPKMFAAHGPR119BACE1
SCHEMBL4771557 0.84 BACE1 (0.51) KDM4EPKMFAAHGPR119PTPN2
SCHEMBL12255478 0.79 FAAH (0.50) KDM4EPKMFAAHGPR119PTPN2
SCHEMBL4777857 0.77 FAAH (0.47) KDM4EPKMFAAHGPR119BACE1
SCHEMBL4775404 0.77 GPR119 (0.51) KDM4EPKMFAAHGPR119BACE1
SCHEMBL4771035 0.77 GPR119 (0.47) KDM4EPKMFAAHGPR119BACE1
SCHEMBL5573169 0.76 HPGD (0.53) KDM4EPKMFAAHGPR119PTPN2
SCHEMBL20873854 0.75 HPGD (0.51) KDM4EPKMFAAHGPR119HPGD
SCHEMBL190831 0.74 GPR119 (0.49) KDM4EPKMFAAHGPR119BACE1
SCHEMBL29113188 0.74 KDM4E (0.56) KDM4EPKMFAAHGPR119PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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 (1 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 KDM4E 2791/4885PKM 4190/4885FAAH 1416/4885

“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.