SCHEMBL4843157

SCHEMBL4843157

CC1(C)Cc2cc(Br)ccc2C(=CC(=O)c2ccccc2)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
HSP90AA1 P07900 1/20 0.46
CCR6 P51684 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL4843149 1.00 MAPT (0.50) MAPTHTTCCNB2CDK1CCNB1
SCHEMBL4841098 0.91 CCNB2 (0.52) MAPTHTTCCNB2CDK1CCNB1
SCHEMBL4841091 0.91 CCNB2 (0.52) MAPTHTTCCNB2CDK1CCNB1
SCHEMBL4839749 0.87 TGM2 (0.54) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4839740 0.87 TGM2 (0.54) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4841953 0.87 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4835278 0.87 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4835264 0.87 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4841970 0.87 MAPT (0.51) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4846442 0.87 MAPT (0.51) MAPTHTTCCNB2CDK1CCNB1

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 10 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
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 3467/4885CCNB2 772/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MAPT 646/4885HTT 2525/4885CCNB2 1214/4885

“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.