SCHEMBL4838985

SCHEMBL4838985

CC1(C)Cc2ccccc2C(=CC(=O)C2(C)CCCCC2)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
MAPT P10636 7/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
HTT P42858 3/20 0.63
TSHR P16473 2/20 0.47
LMNA P02545 6/20 0.43
GAA P10253 5/20 0.43
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MPI P34949 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 2/20 0.40
BACE1 P56817 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL4838979 1.00 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4835763 0.85 MAPT (0.58) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4835748 0.85 MAPT (0.58) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL23879910 0.81 MAPT (0.72) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL13808059 0.80 MAPT (0.71) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4842507 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4838317 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4838687 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL3454844 0.79 ALDH1A1 (0.98) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL4839904 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1NPSR1

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 ALDH1A1 2167/4885MAPT 3538/4885KMT2A 921/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 ALDH1A1 2636/4885MAPT 646/4885KMT2A 4642/4885

“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.