SCHEMBL96646

SCHEMBL96646

O=Cc1cccc2c1CCC(=O)N2CCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.69
▸ CHRM2 P08172 15/20 0.69
▸ CHRM4 P08173 15/20 0.69
▸ CHRM5 P08912 15/20 0.69
▸ CHRM3 P20309 15/20 0.69
▸ DRD2 P14416 12/20 0.69
▸ DRD4 P21917 12/20 0.69
▸ DRD3 P35462 12/20 0.69
▸ ADRB2 P07550 2/20 0.69
▸ ADRB1 P08588 2/20 0.69
▸ ADRA1D P25100 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ ADRA1B P35368 2/20 0.69
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 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
SCHEMBL5308997 0.87 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11070246 0.76 DRD4 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11064440 0.74 DRD4 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL97527 0.73 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL11066728 0.72 MEN1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6219793 0.72 DRD2 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11066548 0.72 DRD4 (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL27718597 0.72 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL11063081 0.71 DRD4 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4108189 0.70 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM5CHRM3

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 265/4885CHRM2 370/4885CHRM4 578/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CHRM1 265/4885CHRM2 370/4885CHRM4 578/4885

“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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