SCHEMBL5144159

SCHEMBL5144159

COC(=O)c1ccc2c(c1)CC(N(Cc1ccccc1)C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
UBE2M P61081 6/20 0.39
DCUN1D1 Q96GG9 6/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
CETP P11597 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR2C P28335 1/20 0.36

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
SCHEMBL5143973 0.86 DRD2 (0.46) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5145400 0.85 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5146713 0.84 HSD11B1 (0.42) HSD11B1UBE2MDCUN1D1CETPHTR2C
SCHEMBL5143838 0.83 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL5143748 0.83 HSD11B1 (0.41) HSD11B1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL388656 0.82 HSD11B1 (0.45) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5143634 0.82 ALOX15 (0.48) HSD11B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5142024 0.81 DRD2 (0.43) HSD11B1UBE2MDCUN1D1AGERMTNR1A
SCHEMBL7753599 0.81 HSD11B1 (0.42) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5146612 0.80 HSD11B1 (0.42) HSD11B1KMT2AUBE2MDCUN1D1AGER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP HSD11B1 1317/4885HDAC3 4325/4885HDAC1 3083/4885

“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.