SCHEMBL4845203

SCHEMBL4845203

CN(C)c1ccc2c(c1)/C(=C/C(=O)c1ccccc1)NC(C)(C)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 6/20 0.38
GAA P10253 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL4845212 1.00 MAPT (0.48) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4844420 0.86 KMT2A (0.40) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4844434 0.86 KMT2A (0.40) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4839112 0.86 MAPT (0.59) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4839098 0.86 MAPT (0.59) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4846152 0.85 MAPT (0.47) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4846133 0.85 MAPT (0.47) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4837756 0.85 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4846003 0.85 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4844398 0.85 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP claimed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US claimed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 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 (2 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 MAPT 3538/4885HTT 3467/4885ALDH1A1 2167/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MAPT 646/4885HTT 2525/4885ALDH1A1 2636/4885

“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.