SCHEMBL7524539

SCHEMBL7524539

CCOc1ccccc1N1[CH]CNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPT P10636 2/20 0.43
HTR1A P08908 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
HIF1A Q16665 1/20 0.43
HTR3E A5X5Y0 1/20 0.42

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
SCHEMBL3483188 0.83 DRD2 (0.61) ALDH1A1DRD2DRD3MAPTHTR1A
SCHEMBL3951003 0.79 SLC6A2 (0.43) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL255189 0.78 HTR1A (0.68) ALDH1A1HSD17B10DRD2DRD3DRD4
SCHEMBL7524534 0.78 HTR1A (0.68) ALDH1A1HSD17B10DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL16528267 0.77 MAPT (0.69) ALDH1A1HSD17B10DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL787250 0.77 MAPT (0.69) ALDH1A1HSD17B10DRD2DRD3DRD4
Bromide SCHEMBL10621563 0.77 HTR1A (0.66) ALDH1A1HSD17B10DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL15938311 0.76 HTR1A (0.64) ALDH1A1HSD17B10DRD2DRD3DRD4
SCHEMBL5805251 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10DRD2DRD3DRD4
SCHEMBL2209185 0.74 ADRB1 (0.58) ALDH1A1DRD2DRD3HTR1ACYP3A4

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-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 WO 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-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 ALDH1A1 454/4885HSD17B10 2203/4885DRD2 2877/4885

“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.