SCHEMBL98519

SCHEMBL98519

O=C1CCc2c(C3OCCO3)cccc2N1CCCBr

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ CHRM2 P08172 4/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ CHRM5 P08912 4/20 0.37
▸ CHRM3 P20309 4/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL5308997 0.79 CHRM1 (0.54) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL95996 0.78 PIM1 (0.40) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL97439 0.77 POLB (0.42) —
SCHEMBL4227431 0.77 CHRM1 (0.53) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL96345 0.74 POLB (0.35) —
SCHEMBL98295 0.72 KMT2A (0.43) —
SCHEMBL5389753 0.70 DRD2 (0.62) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL1764057 0.70 SIGMAR1 (0.58) DRD2DRD4DRD3SIGMAR1
SCHEMBL97869 0.70 POLB (0.40) —
SCHEMBL1764226 0.68 SIGMAR1 (0.46) CHRM1DRD2CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO 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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CHRM1 265/4885DRD2 947/4885CHRM2 370/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CHRM1 265/4885DRD2 947/4885CHRM2 370/4885

“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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