SCHEMBL6322151

SCHEMBL6322151

O[C@@H](CNCc1ccccc1)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.67
ADRB3 P13945 4/20 0.67
ADRB2 P07550 3/20 0.67
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP2D6 P10635 2/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL6322149 1.00 ADRB1 (0.67) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL26031129 0.97 ADRB1 (0.64) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL21759057 0.97 ADRB1 (0.64) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL26031131 0.97 ADRB1 (0.64) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL26031128 0.97 ADRB1 (0.64) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11169814 0.92 MEN1 (0.65) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11518076 0.90 NPC1 (0.76) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11606524 0.88 MEN1 (0.71) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11518406 0.86 ADRB2 (0.70) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11499125 0.86 MEN1 (0.60) ADRB1ADRB3ADRB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10045689-A None JP disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
CN-1323289-A Aminoalcohol derivatives and their use as beta3Use of adrenergic agonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-11-21 CN disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed
JP-H1045689-A PRODUCTION OF RS-, R-OR S-BENZYLAMINO-3-PHENOXY-2-PROPANOL DAITO KAGAKU KK 1998-02-17 JP 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885

“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.