SCHEMBL79646

SCHEMBL79646

COc1ccc2c(c1OC)CC1CCCN(Cl)C1C2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.44
DRD2 P14416 2/20 0.42
CYP3A4 P08684 1/20 0.41
F3 P13726 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL51300 0.86 DRD2 (0.56) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL7901592 0.81 HSD11B1 (0.41) HTR1ADRD2
SCHEMBL7907814 0.81 HSD11B1 (0.41) HTR1ADRD2
SCHEMBL51088 0.80 HTR1A (0.50) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL15382577 0.80 HTR1A (0.50) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL13851908 0.80 HTR1A (0.50) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL50627 0.80 HTR1A (0.50) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL15382601 0.80 HTR1A (0.50) HTR1ADRD2CYP3A4F3SIGMAR1
SCHEMBL7901664 0.80 DRD2 (0.39) HTR1ADRD2
SCHEMBL50763 0.77 HSD11B1 (0.39) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US 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-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 HTR1A 210/4885DRD2 184/4885CYP3A4 29/4885

“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.