SCHEMBL4777196

SCHEMBL4777196

CCOc1ccc(SC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.59
MMP13 P45452 2/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPY2R P49146 1/20 0.47

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
SCHEMBL1809121 0.86 GPR119 (0.50) GPR119MMP13MAPTALDH1A1HPGD
SCHEMBL22324946 0.86 ALDH1A1 (0.64) GPR119MMP13MAPTALDH1A1MEN1
SCHEMBL1532538 0.83 GPR119 (0.55) GPR119MAPTALDH1A1HPGDKDM4E
SCHEMBL22759260 0.83 GPR119 (0.62) GPR119MMP13MAPTALDH1A1MEN1
SCHEMBL4777861 0.83 GPR119 (0.69) GPR119MAPTALDH1A1HPGDKDM4E
SCHEMBL4771893 0.83 GPR119 (0.50) GPR119MMP13MAPTALDH1A1MAPK1
SCHEMBL1805596 0.83 GPR119 (0.59) GPR119ALDH1A1
SCHEMBL2797073 0.82 STS (0.57) GPR119MAPTLMNAALDH1A1HPGD
SCHEMBL4768561 0.82 GPR119 (0.54) GPR119MAPTALDH1A1HPGDKDM4E
SCHEMBL5440270 0.82 GPR119 (0.54) GPR119MAPTALDH1A1HPGDKDM4E

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 6 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
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 447/4885MMP13 4131/4885MAPT 4492/4885

“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.