SCHEMBL2018953

SCHEMBL2018953

CC(C)(C)OC(=O)N1CCC(Cn2ccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
CYP2B6 P20813 1/20 0.49
FAAH O00519 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
BACE1 P56817 1/20 0.45
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
FPR2 P25090 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
SCHEMBL14254663 0.93 CYP19A1 (0.46) GPR119CYP2B6FAAHKDM4EPKM
SCHEMBL23791317 0.93 CYP19A1 (0.46) GPR119CYP2B6FAAHKDM4EPKM
SCHEMBL14254662 0.93 CYP19A1 (0.46) GPR119CYP2B6FAAHKDM4EPKM
SCHEMBL23410531 0.87 NR1H2 (0.46) GPR119CYP2B6
SCHEMBL14266348 0.85 CYP19A1 (0.49) CYP2B6BACE1MAPT
SCHEMBL12255478 0.84 FAAH (0.50) GPR119FAAHKDM4EPKMBACE1
SCHEMBL6152219 0.82 KDM4E (0.53) GPR119FAAHKDM4EPKMMAPT
SCHEMBL4968064 0.80 GPR119 (0.50) GPR119FAAHKDM4EPKMPTPN2
SCHEMBL27776391 0.79 CYP2B6 (0.46) CYP2B6
SCHEMBL4837064 0.79 DTYMK (0.47) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 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-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
EP-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 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 (3 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GPR119 4338/4885CYP2B6 1755/4885FAAH 4192/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885CYP2B6 1227/4885FAAH 1416/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GPR119 4338/4885CYP2B6 1755/4885FAAH 4192/4885

“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.