SCHEMBL6320370

SCHEMBL6320370

COc1ccc(C(O)(CC(NC[C@H](O)COc2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 3/20 0.52
CASR P41180 2/20 0.52
CYP2D6 P10635 5/20 0.51
ADRB3 P13945 3/20 0.51
ADRB1 P08588 2/20 0.51
ADRB2 P07550 1/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL6321160 1.00 KMT2A (0.64) KMT2AMAPTHTTMEN1CASR
SCHEMBL6321443 0.90 KMT2A (0.54) KMT2AMAPTHTTMEN1CASR
SCHEMBL6321450 0.90 KMT2A (0.54) KMT2AMAPTHTTMEN1CASR
SCHEMBL6319503 0.86 KMT2A (0.63) KMT2AMAPTMEN1CASRCYP2D6
SCHEMBL6319499 0.86 KMT2A (0.63) KMT2AMAPTMEN1CASRCYP2D6
SCHEMBL6320450 0.78 CASR (0.58) KMT2AMAPTMEN1CASRCYP2D6
SCHEMBL6326406 0.78 CASR (0.58) KMT2AMAPTMEN1CASRCYP2D6
SCHEMBL6322846 0.77 ADRB2 (0.63) KMT2AMAPTHTTMEN1CYP2D6
SCHEMBL6322852 0.77 ADRB2 (0.63) KMT2AMAPTHTTMEN1CYP2D6
SCHEMBL9006022 0.77 KMT2A (0.70) KMT2AMAPTHTTMEN1CASR

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 KMT2A 3075/4885MAPT 1461/4885HTT 3589/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3010/4885MAPT 1674/4885HTT 3543/4885

“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.