SCHEMBL1454080

SCHEMBL1454080

C[CH]CCNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
HTT P42858 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ICMT O60725 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1453819 0.87 MAPT (0.64) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1454219 0.85 MAPT (0.61) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1454687 0.84 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1453569 0.84 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1454849 0.84 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1454056 0.84 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL9572882 0.78 MAPT (0.52) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7081337 0.77 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL946383 0.77 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1HTTHRH3
SCHEMBL7098162 0.77 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1CYP1A2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 US disclosed
CN-1921847-B Amino alcohol compound SANKYO CO 2010-06-16 CN disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
CN-1921847-A Amino alcohol compound SANKYO CO (JP) 2007-02-28 CN disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 MAPT 2680/4885ALDH1A1 62/4885L3MBTL1 417/4885

“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.