SCHEMBL7129928

SCHEMBL7129928

NC(=O)c1c[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
DRD4 P21917 6/20 0.54
DRD3 P35462 6/20 0.54
MAPK14 Q16539 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.48
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 1/20 0.45

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
SCHEMBL7134765 0.82 GRIN2B (0.53) MAPTHTT
SCHEMBL7076688 0.75 DRD2 (0.57) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL14543379 0.73 HTT (0.57) MAPK14MAPTALDH1A1HTTKMT2A
SCHEMBL7469793 0.72 DRD4 (0.57) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL4527775 0.72 DRD4 (0.57) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL5620757 0.72 AURKA (0.67) AURKAKDRAURKB
SCHEMBL5377865 0.71 GRIN2B (0.48) MAPK14MAPTHTT
SCHEMBL11067101 0.71 HTR2A (0.53) ALDH1A1HTT
SCHEMBL9228893 0.71 DRD2 (0.53) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL2161609 0.70 DRD4 (1.00) DRD2DRD4DRD3MAPK14MAPT

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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 DRD2 1406/4885DRD4 1425/4885DRD3 1165/4885

“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.