SCHEMBL6326406

SCHEMBL6326406

COc1ccc(C(O)(CCNC[C@H](O)COc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ADRB3 P13945 5/20 0.55
ADRB2 P07550 3/20 0.55
ADRB1 P08588 3/20 0.55
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL6320450 1.00 CASR (0.58) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL6319503 0.80 KMT2A (0.63) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL6319499 0.80 KMT2A (0.63) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL11240101 0.79 ADRB3 (0.64) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL6320370 0.78 KMT2A (0.64) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL6321160 0.78 KMT2A (0.64) CASRKMT2AMEN1ADRB3ADRB2
SCHEMBL7028696 0.78 ADRB1 (0.50) KMT2AMEN1ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL6326505 0.76 KMT2A (0.67) CASRKMT2AMEN1ADRB3ADRB2
Hydrochloric Acid SCHEMBL7605228 0.76 CYP2D6 (0.55) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL20049935 0.76 KMT2A (0.67) CASRKMT2AMEN1ADRB3ADRB2

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 2 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

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 CASR 2658/4885KMT2A 3075/4885MEN1 3533/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 CASR 2834/4885KMT2A 3010/4885MEN1 3327/4885

“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.