SCHEMBL5846763

SCHEMBL5846763

CN(C)CCN(C)Cc1cccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
MEN1 O00255 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
ADORA2A P29274 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
SCHEMBL5846680 0.83 HTR7 (0.47) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL29786265 0.83 HTR7 (0.47) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL12088921 0.74 HTR2A (0.39) HTR7HTR1ADRD2HTR2APARP1
SCHEMBL19130698 0.74 HTR7 (0.42) HTR7HTR1ADRD2HTR2APARP1
SCHEMBL2071403 0.74 GRIN2D (0.44) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL7498162 0.73 HTR7 (0.41) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL3669973 0.71 HPGD (0.40) HTR7HTR1ADRD2HTR2AMEN1
SCHEMBL7655280 0.71 HSD17B10 (0.49) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL28481650 0.69 HTR7 (0.36) HTR7HTR1ADRD2HTR2ALMNA
SCHEMBL906702 0.69

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-7022724-B2 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A α5 receptor subunit ligands MERCK SHARP & DOHME LTD. (GB) 2006-04-04 US disclosed
US-20040058970-A1 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands MERCK SHARP & DOHME LTD. (GB) 2004-03-25 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-20040058970-A1 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands GABRA5, GABRA1, GABRB1 HTR7 277/4885HTR1A 198/4885DRD2 230/4885

“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.