SCHEMBL3956208

SCHEMBL3956208

CC(=O)N1CC(CCBr)c2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.43
▸ BRD4 O60885 2/20 0.39
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL3956212 1.00 NOTUM (0.43) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL5995411 0.81 NOTUM (0.33) NOTUMBRD4
SCHEMBL3956526 0.79 NOTUM (0.59) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL3956544 0.79 NOTUM (0.59) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL3956520 0.79 NOTUM (0.59) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL7220138 0.73 NOTUM (0.43) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL7216052 0.71 NOTUM (0.56) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL7214657 0.69 NOTUM (0.45) NOTUMBRD4HTR1ADRD2HTR2A
SCHEMBL5993470 0.69 NOTUM (0.33) NOTUMBRD4ALDH1A1HTT
SCHEMBL3956205 0.68 NOTUM (0.41) NOTUMBRD4HTR1ADRD2HTR2A

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 4483/4885BRD4 907/4885HTR1A 4/4885

“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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