SCHEMBL4771035

SCHEMBL4771035

CC(C)(C)OC(=O)N1CCC(Cn2cnnn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
BACE1 P56817 1/20 0.45
FAAH O00519 1/20 0.44
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
FPR2 P25090 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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) GPR119KDM4EPKMBACE1FAAH
SCHEMBL4777857 0.82 FAAH (0.47) GPR119KDM4EPKMBACE1FAAH
SCHEMBL12255478 0.81 FAAH (0.50) GPR119KDM4EPKMBACE1FAAH
SCHEMBL7551259 0.80 LMNA (0.46) GPR119HPGD
SCHEMBL190831 0.80 GPR119 (0.49) GPR119KDM4EPKMBACE1FAAH
SCHEMBL4775404 0.80 GPR119 (0.51) GPR119KDM4EPKMBACE1FAAH
SCHEMBL13645880 0.77 GPR119 (0.46) GPR119KDM4EBACE1HPGDRECQL
SCHEMBL4773835 0.77 KDM4E (0.46) GPR119KDM4EPKMBACE1FAAH
SCHEMBL5573169 0.76 HPGD (0.53) GPR119KDM4EPKMFAAHHPGD
SCHEMBL4771557 0.76 BACE1 (0.51) GPR119KDM4EPKMBACE1FAAH

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 GPR119 447/4885KDM4E 2791/4885PKM 4190/4885

“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.