SCHEMBL4768330

SCHEMBL4768330

CCOC(=O)C=CCNc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
CCR6 P51684 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 4/20 0.45
TP53 P04637 2/20 0.43

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
SCHEMBL3631342 0.85 MAPT (0.54) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL9519629 0.85 MAPT (0.54) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL6591901 0.82 ALDH1A1 (0.52) PKMKMT2AMEN1HPGDGAA
SCHEMBL8168563 0.75 MAPT (0.53) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL29860111 0.75 MAPT (0.53) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL29072400 0.74 MAPT (0.56) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL30570435 0.74 MAPT (0.56) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL30570427 0.74 MAPT (0.56) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL2886492 0.73 HSD17B10 (0.55) NPSR1PKMKMT2AMEN1NPC1
SCHEMBL2886489 0.73 HSD17B10 (0.55) NPSR1PKMKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613322-A4 AMINOQUINOLINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2008-08-13 EP disclosed
US-7183413-B2 Aminoquinoline compounds TAIGEN BIOTECHNOLOGY (TW) 2007-02-27 US disclosed
EP-1613322-A2 AMINOQUINOLINE COMPOUNDS Taigen Biotechnology (TW) 2006-01-11 EP disclosed
WO-2004091485-A2 AMINOQUINOLINE COMPOUNDS TAIGEN BIOTECHNOLOGY (TW) 2004-10-28 WO disclosed
US-20040209902-A1 e.g., 1,4-bis[2,6-dimethylquinolin-4ylamino]butane; used to treat inflammatory and immune diseases by binding to CXCR3 receptors. TAIGEN BIOTECHNOLOGY (TW) 2004-10-21 US 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-20040209902-A1 e.g., 1,4-bis[2,6-dimethylquinolin-4ylamino]butane; used to treat inflammatory and immune diseases by binding to CXCR3 receptors. CXCR3, CXCL10, CXCR1 NPSR1 566/4885PKM 4111/4885KMT2A 1681/4885

“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.