SCHEMBL4513446

SCHEMBL4513446

[c]1ccc2c(c1)CCN(CC1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
TP53 P04637 1/20 0.37
THRB P10828 3/20 0.37
LMNA P02545 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL1953246 0.79 PNMT (0.44) DRD2HRH3DRD1
SCHEMBL1951737 0.76 HDAC3 (0.39) DRD2HRH1
SCHEMBL8470925 0.75 ADRA1D (0.42) DRD2LMNACYP2D6MAPTDRD1
SCHEMBL697563 0.74 SIGMAR1 (0.50) PRMT5WDR77CYP2D6HRH1ACHE
SCHEMBL1953429 0.73 CARM1 (0.45) LMNAPRMT5WDR77
SCHEMBL1953017 0.73 MEN1 (0.43) DRD2HRH3LMNACYP2D6MAPT
SCHEMBL2483781 0.72 PNMT (0.44) DRD2HRH3DRD1
SCHEMBL24121786 0.72 DRD2 (0.53) DRD2HRH3TP53THRBLMNA
SCHEMBL20910248 0.72 HRH3 (0.49) DRD2HRH3TP53THRBCYP2D6
SCHEMBL4514762 0.72 HRH3 (0.49) DRD2HRH3THRBLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP disclosed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 DRD2 110/4885HRH3 60/4885TP53 4419/4885

“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.