SCHEMBL3956205

SCHEMBL3956205

COc1cccc2c1N(C(C)=O)CC2CCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.41
▸ POLL Q9UGP5 1/20 0.36
▸ HTR2A P28223 5/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ HHAT Q5VTY9 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL3956207 1.00 NOTUM (0.41) NOTUMPOLLHTR2AHTR1AHTR2C
SCHEMBL3956544 0.76 NOTUM (0.59) NOTUMHTR2AHTR1ADRD2BRD4
SCHEMBL3956526 0.76 NOTUM (0.59) NOTUMHTR2AHTR1ADRD2BRD4
SCHEMBL13627332 0.72 NOTUM (0.40) NOTUMHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5954986 0.72 NOTUM (0.40) NOTUMHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL7214657 0.69 NOTUM (0.45) NOTUMHTR2AHTR1ADRD2BRD4
SCHEMBL7216052 0.69 NOTUM (0.56) NOTUMHTR2AHTR1ADRD2BRD4
SCHEMBL3956212 0.68 NOTUM (0.43) NOTUMHTR2AHTR1ADRD2BRD4
SCHEMBL3956716 0.65 PRKACA (0.55) NOTUMHTR2AHTR1ADRD4DRD2
SCHEMBL3960711 0.65 PRKACA (0.55) NOTUMHTR2AHTR1ADRD4DRD2

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-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 — — US 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 NOTUM 4483/4885POLL 4379/4885HTR2A 2/4885

“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.

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