SCHEMBL6774196

SCHEMBL6774196

O=CCCc1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
DRD2 P14416 6/20 0.46
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
PTGS2 P35354 1/20 0.43
NOTUM Q6P988 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.39
CXCR1 P25024 1/20 0.39

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
SCHEMBL6768322 0.85 NOTUM (0.60) RAB9ANPC1MAPTSMN1; SMN2NOTUM
SCHEMBL14829400 0.84 RAB9A (0.50) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL6769135 0.84 NOTUM (0.58) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL14829453 0.80 NOTUM (0.53) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL1456855 0.80 NOTUM (0.53) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL6774267 0.77 CNR2 (0.44) RAB9ANPC1MAPTSMN1; SMN2NOTUM
SCHEMBL6773846 0.76 DRD2 (0.51) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL102821 0.76 NPC1 (0.48) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL8288449 0.76 NPC1 (0.54) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL102268 0.76 RAB9A (0.54) RAB9ANPC1DRD2DRD4DRD3

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 RAB9A 1831/4885NPC1 4523/4885DRD2 3/4885

“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.