SCHEMBL6327240

SCHEMBL6327240

COC(=O)Nc1ccc(C(CCNC[C@H](O)COc2ccccc2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
OPRM1 P35372 1/20 0.70
OPRD1 P41143 1/20 0.70
KMT2A Q03164 1/20 0.70
ABCB1 P08183 7/20 0.64
ADRB1 P08588 9/20 0.61
ADRB3 P13945 9/20 0.61
ADRB2 P07550 4/20 0.55
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.52

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
SCHEMBL7033981 1.00 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AABCB1
Hydrochloric Acid SCHEMBL7027080 0.99 MEN1 (0.68) MEN1OPRM1OPRD1KMT2AABCB1
Phosphoric Acid SCHEMBL7022139 0.96 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AABCB1
Sulfuric Acid SCHEMBL7598698 0.96 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AABCB1
Sulfuric Acid SCHEMBL7025416 0.96 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7536453 0.91 ADRB3 (0.62) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7536027 0.91 ADRB3 (0.62) MEN1OPRM1OPRD1KMT2AABCB1
Citric Acid SCHEMBL7027623 0.91 MEN1 (0.57) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7613177 0.90 MEN1 (0.65) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7612538 0.90 MEN1 (0.71) MEN1OPRM1OPRD1KMT2AABCB1

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 14 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 claimed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US claimed
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US claimed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP claimed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP claimed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO claimed
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
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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 (3 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 MEN1 3533/4885OPRM1 103/4885OPRD1 34/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3327/4885OPRM1 110/4885OPRD1 34/4885
US-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 MEN1 4166/4885OPRM1 35/4885OPRD1 20/4885

“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.