SCHEMBL6548080

SCHEMBL6548080

CCCC(C(=O)NC1CCCCC1)C(=O)NC(CC(O)c1ccccc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GPR88 Q9GZN0 3/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
XIAP P98170 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 2/20 0.39
CCR1 P32246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL6548444 0.83 POLB (0.47) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6549109 0.74 LMNA (0.44) CYP3A4CYP2C19TSHRKMT2AALDH1A1
SCHEMBL6547904 0.72 MEN1 (0.48) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6549283 0.72 SMN1; SMN2 (0.45) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6548091 0.71 CYP3A4 (0.48) CYP3A4CYP2C19TSHRHTTKMT2A
SCHEMBL6548105 0.71 CYP3A4 (0.48) CYP3A4CYP2C19TSHRHTTKMT2A
SCHEMBL6547253 0.68 KMT2A (0.44) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6548227 0.66 LMNA (0.45) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6549347 0.66 MEN1 (0.43) CYP3A4CYP2C19TSHRKMT2AMEN1
SCHEMBL6549071 0.66 KMT2A (0.41) CYP3A4CYP2C19TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106609-B1 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU KOGYO CO LTD (JP) 2004-12-01 EP disclosed
US-6407064-B2 A MORPHOLINO RING CONTAINING ALKYLAMINOALCOHOL DERIVATIVE OR SALTS USEFUL FOR TREATING NEURONAL DISEASES AND AN AGENT FOR PROTECTING BRAIN SEIKAGAKU CORPORATION (JP) 2002-06-18 US disclosed
US-20010003741-A1 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU CORPORATION (JP) 2001-06-14 US disclosed
EP-1106609-A2 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU CORPORATION (JP) 2001-06-13 EP 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-20010003741-A1 Aminoalcohol derivative and medicament comprising the same SGMS2, FABP7, SGMS1 CYP3A4 4788/4885CYP2C19 4868/4885TSHR 4197/4885

“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.