SCHEMBL6319865

SCHEMBL6319865

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
ADRB3 P13945 3/20 0.54
ADRB1 P08588 2/20 0.54
ADRB2 P07550 1/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 3/20 0.52
CASR P41180 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL9006023 0.84 KMT2A (0.70) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL9006022 0.84 KMT2A (0.70) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL6319902 0.81 KMT2A (0.66) KMT2AADRB3ADRB1ADRB2CYP2D6
Oxalic Acid SCHEMBL6320367 0.79 KMT2A (0.62) KMT2AADRB3ADRB1ADRB2CYP2D6
Oxalic Acid SCHEMBL6321308 0.79 KMT2A (0.62) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL6321718 0.77 KMT2A (0.60) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL11572631 0.76 KMT2A (0.59) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL9628909 0.74 ADRB2 (0.67) KMT2AADRB3ADRB1ADRB2CYP2D6
Oxalic Acid SCHEMBL11476332 0.73 ADRB2 (0.65) KMT2AADRB3ADRB1ADRB2CYP2D6
SCHEMBL20049938 0.73 CYP2D6 (0.69) KMT2AADRB3ADRB1ADRB2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US claimed
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US disclosed
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 (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 KMT2A 3075/4885ADRB3 2/4885ADRB1 1/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R KMT2A 1318/4885ADRB3 140/4885ADRB1 205/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3010/4885ADRB3 2/4885ADRB1 1/4885

“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.