SCHEMBL6133666

SCHEMBL6133666

COC(=O)c1cc(Oc2ccc3c(c2)C[C@@H](N)CC3)ccc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
ACHE P22303 3/20 0.49
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F10 P00742 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD4 P21917 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL6134040 0.78 CA1 (0.51) DRD2ACHESMN1; SMN2MTNR1AMTNR1B
SCHEMBL9443688 0.75 DRD2 (0.75) DRD2DRD3ACHEKDM4EHRH3
SCHEMBL6592715 0.75 DRD2 (0.46) DRD2DRD3ACHEKDM4EF10
SCHEMBL6133719 0.75 ADRB3 (0.71) ADRB3
SCHEMBL10247424 0.72 DRD2 (0.57) DRD2DRD3ACHEALDH1A1MAPT
SCHEMBL10247342 0.72 DRD2 (0.57) DRD2DRD3ACHEALDH1A1MAPT
SCHEMBL355227 0.72 DRD2 (0.57) DRD2DRD3ACHEALDH1A1MAPT
SCHEMBL28843875 0.71 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL354608 0.71 DRD2 (0.56) DRD2DRD3ACHEALDH1A1MAPT
Hydrochloric Acid SCHEMBL353594 0.71 DRD2 (0.56) DRD2DRD3ACHEALDH1A1MAPT

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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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 (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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 DRD2 130/4885DRD3 113/4885ACHE 511/4885

“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.