SCHEMBL4773795

SCHEMBL4773795

CC(C)(C)OC(=O)N1CCC(Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
NR1D1 P20393 1/20 0.47
SLC2A1 P11166 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
SCHEMBL14782744 0.89 ALDH1A1 (0.60) LMNAMAPTALDH1A1HTTKDM4E
SCHEMBL22529564 0.85 ALDH1A1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2735457 0.84 SIGMAR1 (0.60) LMNAMAPTALDH1A1GPR119
SCHEMBL25845748 0.84 MAPT (0.76) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL16113579 0.84 GPR119 (0.61) LMNAMAPTSMN1; SMN2KDM4EPKM
SCHEMBL12263494 0.84 KDM4E (0.53) KDM4EPKMGPR119
SCHEMBL2250178 0.84 GPR119 (0.60) ALDH1A1KDM4EPKMGPR119
SCHEMBL31203212 0.83 LMNA (0.53) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL5216291 0.83 SMN1; SMN2 (0.45) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL5012643 0.83 ALDH1A1 (0.58) LMNAMAPTALDH1A1HTTMAPK1

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 LMNA 3240/4885MAPT 4492/4885ALDH1A1 3228/4885

“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.