SCHEMBL6490577

SCHEMBL6490577

COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 0.55
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MIF P14174 2/20 0.51
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
TSHR P16473 1/20 0.48
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
MTOR P42345 1/20 0.45
LTA4H P09960 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL6490581 1.00 EPOR (0.55) EPORESR1ESR2MIFOPRD1
SCHEMBL7763937 0.93 EPOR (0.54) EPORNPC1RAB9A
SCHEMBL7281578 0.88 EPOR (0.54) EPORLTA4HNPC1RAB9A
SCHEMBL13535120 0.87 LMNA (0.49) EPOROPRD1OPRK1LTA4HCTSL
SCHEMBL13110183 0.87 EPOR (0.72) EPORLTA4H
SCHEMBL27799946 0.84 SLC7A5 (0.49) ESR1OPRD1OPRK1MTOR
SCHEMBL7281801 0.83 MEN1 (0.52) EPORNPC1RAB9A
SCHEMBL6487222 0.83 EPOR (0.58) EPORLTA4HRAB9A
SCHEMBL6487242 0.83 EPOR (0.58) EPORLTA4HRAB9A
SCHEMBL22072371 0.81 EPOR (0.56) EPORBCHENPC1RAB9A

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 EPOR 2428/4885ESR1 2578/4885ESR2 670/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 EPOR 2312/4885ESR1 1457/4885ESR2 577/4885

“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.