SCHEMBL3961341

SCHEMBL3961341

OCC[C@H]1CNc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.40
PAX8 Q06710 1/20 0.36
TDO2 P48775 1/20 0.33
BCHE P06276 1/20 0.33
HRH2 P25021 1/20 0.33
OPRM1 P35372 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3957829 1.00 CCKBR (0.40) CCKBRPAX8TDO2BCHEHRH2
SCHEMBL1688324 1.00 CCKBR (0.40) CCKBRPAX8TDO2BCHEHRH2
SCHEMBL31366241 0.89 CCKBR (0.39) CCKBRPAX8BCHEOPRM1
SCHEMBL14610590 0.89 CCKBR (0.39) CCKBRPAX8BCHEOPRM1
SCHEMBL550107 0.85 CCKBR (0.42) CCKBRPAX8HRH2OPRM1HTR2B
SCHEMBL11851728 0.81 CCKBR (0.40) CCKBRPAX8BCHEHRH2OPRM1
SCHEMBL11473137 0.81 IDO1 (0.45) CCKBR
SCHEMBL29558888 0.81 IDO1 (0.45) CCKBR
SCHEMBL5543945 0.81 CCKBR (0.40) CCKBRPAX8BCHEHRH2OPRM1
SCHEMBL8261364 0.81 HTR5A (0.41) CCKBRBCHEHRH2OPRM1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 CN disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A CCKBR 162/4885PAX8 3199/4885TDO2 199/4885

“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.