SCHEMBL6767342

SCHEMBL6767342

O=[N+]([O-])c1cccc(-c2cc(CCCN3CCN(Cc4ccccc4)CC3)on2)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.75
DRD4 P21917 12/20 0.75
DRD3 P35462 12/20 0.75
SIGMAR1 Q99720 3/20 0.55
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6768588 0.97 DRD2 (0.80) DRD2DRD4DRD3SIGMAR1
SCHEMBL6766947 0.89 DRD2 (0.94) DRD2DRD4DRD3SIGMAR1
SCHEMBL6768161 0.86 DRD2 (0.95) DRD2DRD4DRD3
SCHEMBL6768248 0.86 DRD2 (1.00) DRD2DRD4DRD3
SCHEMBL6767528 0.85 DRD2 (0.69) DRD2DRD4DRD3
SCHEMBL6767263 0.85 DRD2 (0.65) DRD2DRD4DRD3SIGMAR1CA12
SCHEMBL6767105 0.83 DRD2 (1.00) DRD2DRD4DRD3
SCHEMBL6767642 0.82 DRD2 (0.69) DRD2DRD4DRD3CA12CA9
SCHEMBL6767690 0.82 DRD2 (0.74) DRD2DRD4DRD3
SCHEMBL6764805 0.81 DRD2 (0.95) DRD2DRD4DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US claimed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 US claimed
US-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 DRD2 3/4885DRD4 1/4885DRD3 2/4885

“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.