SCHEMBL6263381

SCHEMBL6263381

NCc1cccc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.70
DRD2 P14416 2/20 0.68
DRD3 P35462 1/20 0.68
PRMT6 Q96LA8 1/20 0.57
SIGMAR1 Q99720 4/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NCF1 P14598 1/20 0.53
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL5986956 0.89 DRD4 (0.77) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL27662780 0.87 AGXT (0.56) DRD4DRD2DRD3PRMT6SIGMAR1
SCHEMBL2660374 0.86 DRD4 (0.72) DRD4DRD2DRD3SIGMAR1ITGB3
SCHEMBL13637639 0.85 ALDH1A1 (0.65) DRD4DRD2DRD3PRMT6HTR7
SCHEMBL6031812 0.83 DRD4 (1.00) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL2376462 0.83 CHRNA7 (0.59) DRD4DRD2DRD3PRMT6KDM4E
SCHEMBL9374413 0.83 SIGMAR1 (0.76) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL13902706 0.81 DRD2 (1.00) DRD4DRD2DRD3HTR7ALDH1A1
SCHEMBL30643008 0.81 DRD4 (0.70) DRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL29132943 0.81 DRD4 (0.70) DRD4DRD2DRD3SIGMAR1HTR1A

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
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT DRD4 2278/4885DRD2 1957/4885DRD3 1375/4885

“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.