SCHEMBL4773741

SCHEMBL4773741

CC(C)(C)OC(=O)N1CCC(Sc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
GPR119 Q8TDV5 9/20 0.52
STS P08842 1/20 0.50
MMP13 P45452 1/20 0.48
TGFBR1 P36897 1/20 0.48
P2RY14 Q15391 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4768561 0.90 GPR119 (0.54) MAPTGPR119TGFBR1PTPN2PTPN1
SCHEMBL4768413 0.87 GPR119 (0.54) MAPTGPR119MMP13PTPN2PTPN1
SCHEMBL1498332 0.85 STS (0.49) MAPTGPR119STSTGFBR1KMT2A
SCHEMBL1532538 0.85 GPR119 (0.55) MAPTGPR119PTPN2PTPN1PTPN6
SCHEMBL22759260 0.85 GPR119 (0.62) MAPTGPR119MMP13PTPN2PTPN1
SCHEMBL4777861 0.85 GPR119 (0.69) MAPTGPR119PTPN2PTPN1PTPN6
SCHEMBL1805596 0.85 GPR119 (0.59) GPR119STSPTPN2PTPN1PTPN6
SCHEMBL2797073 0.84 STS (0.57) MAPTGPR119STSPTPN2PTPN1
SCHEMBL1886051 0.84 GPR119 (0.54) MAPTGPR119PTPN2PTPN1PTPN6
SCHEMBL4777234 0.84 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022130352-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2022-06-23 WO 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

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 MAPT 4492/4885GPR119 447/4885STS 3754/4885

“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.