SCHEMBL6319580

SCHEMBL6319580

COC(=O)N(C)c1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(N(C)C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.48
ADRB3 P13945 5/20 0.48
ADRB2 P07550 4/20 0.48
CYP2D6 P10635 2/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
DPP4 P27487 2/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.41
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6319575 1.00 ADRB1 (0.48) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6322852 0.84 ADRB2 (0.63) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6322846 0.84 ADRB2 (0.63) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6319503 0.83 KMT2A (0.63) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6319499 0.83 KMT2A (0.63) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6323862 0.82 ADRB2 (0.58) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6323866 0.82 ADRB2 (0.58) ADRB1ADRB3ADRB2CYP2D6KMT2A
SCHEMBL6321172 0.81 POLB (0.43) CYP2D6KMT2AALDH1A1MEN1POLB
SCHEMBL6320803 0.81 POLB (0.43) CYP2D6KMT2AALDH1A1MEN1POLB
SCHEMBL7768357 0.81 ADRB1 (0.44) ADRB1ADRB3ADRB2CYP2D6KMT2A

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-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US claimed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US 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

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 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R ADRB1 205/4885ADRB3 140/4885ADRB2 236/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885

“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.