SCHEMBL6322699

SCHEMBL6322699

CC(=O)Nc1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
ADRB1 P08588 4/20 0.61
ADRB3 P13945 4/20 0.61
ADRB2 P07550 4/20 0.61
CYP2D6 P10635 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 2/20 0.61
OPRK1 P41145 1/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6322703 1.00 MAPT (0.62) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6319148 0.89 MAPT (0.51) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6319138 0.89 MAPT (0.51) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6322846 0.87 ADRB2 (0.63) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6322852 0.87 ADRB2 (0.63) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6323862 0.85 ADRB2 (0.58) ADRB1ADRB3ADRB2CYP2D6MEN1
SCHEMBL6323866 0.85 ADRB2 (0.58) ADRB1ADRB3ADRB2CYP2D6MEN1
SCHEMBL6319499 0.84 KMT2A (0.63) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6319503 0.84 KMT2A (0.63) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6320439 0.82 ADRB1 (0.52) ADRB1ADRB3ADRB2CYP2D6MEN1

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-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
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

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 MAPT 1461/4885ADRB1 1/4885ADRB3 2/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MAPT 1674/4885ADRB1 1/4885ADRB3 2/4885

“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.