SCHEMBL5143716

SCHEMBL5143716

O[C@@H](CNC1CCCc2ccc(OCF)cc2C1)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
NPY1R P25929 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.48
ADRB3 P13945 3/20 0.47
ADRB1 P08588 2/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46

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
Hydrochloric Acid SCHEMBL5143637 0.89 LMNA (0.56) MEN1LMNAKMT2ANPY1RALDH1A1
Hydrochloric Acid SCHEMBL5143629 0.88 MEN1 (0.55) MEN1LMNAKMT2ANPY1RALDH1A1
SCHEMBL7566211 0.88 ADRB3 (0.58) MEN1LMNAKMT2ANPY1RALDH1A1
SCHEMBL7563492 0.88 ADRB3 (0.58) MEN1LMNAKMT2ANPY1RALDH1A1
SCHEMBL7564734 0.88 ADRB3 (0.58) MEN1LMNAKMT2ANPY1RALDH1A1
SCHEMBL7569470 0.88 ADRB3 (0.58) MEN1LMNAKMT2ANPY1RALDH1A1
Hydrochloric Acid SCHEMBL5143647 0.88 MEN1 (0.57) MEN1LMNAKMT2ANPY1RALDH1A1
Hydrochloric Acid SCHEMBL5143729 0.87 MEN1 (0.53) MEN1LMNAKMT2ANPY1RALDH1A1
Hydrochloric Acid SCHEMBL5146498 0.87 KMT2A (0.53) MEN1LMNAKMT2ANPY1RALDH1A1
Hydrochloric Acid SCHEMBL5144126 0.87 MEN1 (0.53) MEN1LMNAKMT2ANPY1RALDH1A1

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 MEN1 1043/4885LMNA 1888/4885KMT2A 2618/4885

“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.