SCHEMBL5145479

SCHEMBL5145479

CCCCNC(=O)COc1ccc2c(c1)CC(NC[C@H](O)COc1ccc3c(ccn3Cc3ccccc3)c1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.44
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRB1 P08588 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GMNN O75496 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 2/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSD P07339 4/20 0.38
PRMT5 O14744 1/20 0.38
TP53 P04637 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
SCHEMBL5144024 0.87 ADRB3 (0.50) ADRB3LMNAKDM4EALDH1A1ADRB1
Oxalic Acid SCHEMBL5143858 0.85 ADRB3 (0.49) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5146443 0.83 ADRB3 (0.50) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5146542 0.82 ADRB3 (0.48) ADRB3LMNAALDH1A1ADRB1MEN1
SCHEMBL5143763 0.81 SMN1; SMN2 (0.49) ADRB3KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5143605 0.80 ADRB3 (0.46) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5145699 0.79 ADRB3 (0.53) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5142000 0.78 HTT (0.49) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5145505 0.78 CYP3A4 (0.58) ADRB3LMNAKDM4EALDH1A1ADRB1
Hydrochloric Acid SCHEMBL5145521 0.77 ADRB3 (0.47) ADRB3LMNAKDM4EALDH1A1ADRB1

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 4 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

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 ADRB3 12/4885LMNA 1888/4885KDM4E 3117/4885

“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.