SCHEMBL4842548

SCHEMBL4842548

COc1ccc(C(=O)/C=C2\NC(C)(C)Cc3ccccc32)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.55
MAPT P10636 8/20 0.54
HTT P42858 2/20 0.54
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 2/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
TNFRSF1A P19438 1/20 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
SCHEMBL4842565 1.00 NTSR1 (0.55) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4844484 0.92 MAPT (0.54) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4844474 0.92 MAPT (0.54) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4844699 0.88 MAPT (0.53) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4841108 0.88 MAPT (0.53) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4844714 0.88 MAPT (0.53) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4841118 0.88 MAPT (0.53) NTSR1MAPTHTTGAAALDH1A1
SCHEMBL4839264 0.88 MAPT (0.59) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL4839275 0.88 MAPT (0.59) MAPTHTTGAAALDH1A1KMT2A
SCHEMBL4844001 0.88 MAPT (0.56) NTSR1MAPTHTTGAAALDH1A1

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 NTSR1 256/4885MAPT 3538/4885HTT 3467/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NTSR1 436/4885MAPT 646/4885HTT 2525/4885

“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.