SCHEMBL3554785

SCHEMBL3554785

CCC(=O)OC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 12/20 0.54
▸ DRD2 P14416 11/20 0.54
▸ DRD4 P21917 11/20 0.54
▸ OPRM1 P35372 3/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ HDAC4 P56524 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL26104235 0.84 OPRM1 (0.46) DRD3DRD2DRD4OPRM1OPRD1
SCHEMBL22790441 0.83 OPRM1 (0.60) DRD3OPRM1OPRD1OPRK1HDAC4
SCHEMBL6036780 0.80 HDAC4 (0.47) DRD3DRD2DRD4HDAC4SLC6A4
SCHEMBL28398971 0.77 OPRM1 (0.65) DRD3DRD2DRD4OPRM1OPRD1
SCHEMBL8780436 0.76 POLB (0.43) HDAC4SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4903380 0.76 HSD11B1 (0.41) DRD3DRD2DRD4HDAC4SLC6A4
SCHEMBL24397743 0.76 DRD2 (0.39) DRD3DRD2DRD4HDAC4SMN1; SMN2
SCHEMBL3812202 0.76 HSD11B1 (0.43) DRD3DRD2DRD4HDAC4SLC6A4
SCHEMBL7176061 0.75 DRD2 (0.52) DRD3DRD2DRD4OPRM1HDAC4
SCHEMBL7490230 0.73 HDAC4 (0.42) DRD3DRD2DRD4HDAC4

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
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 — — US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 — — EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR DRD3 100/4885DRD2 61/4885DRD4 127/4885

“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.

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