SCHEMBL6764508

SCHEMBL6764508

O=[N+]([O-])c1cccc(-c2cc(CCCO)on2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
DRD4 P21917 7/20 0.60
DRD3 P35462 7/20 0.60
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 3/20 0.46
GRM5 P41594 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL6768362 0.82 DRD2 (0.55) DRD2DRD4DRD3CA12CA9
SCHEMBL18670795 0.78 NOTUM (0.50) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL13247845 0.78 NOTUM (0.70) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL27544629 0.77 NPC1 (0.56) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL6767342 0.77 DRD2 (0.75) DRD2DRD4DRD3CA12CA9
SCHEMBL6766947 0.77 DRD2 (0.94) DRD2DRD4DRD3L3MBTL1
SCHEMBL6768248 0.76 DRD2 (1.00) DRD2DRD4DRD3L3MBTL1
SCHEMBL6768588 0.76 DRD2 (0.80) DRD2DRD4DRD3
SCHEMBL18670752 0.75 NOTUM (0.47) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL6768161 0.75 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 2 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 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.