SCHEMBL6319902

SCHEMBL6319902

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
ADRB3 P13945 8/20 0.59
ADRB2 P07550 5/20 0.59
ADRB1 P08588 4/20 0.59
CYP2D6 P10635 2/20 0.59
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CASR P41180 2/20 0.53
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL9006022 0.94 KMT2A (0.70) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL9006023 0.94 KMT2A (0.70) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL20049938 0.83 CYP2D6 (0.69) KMT2AADRB3ADRB2ADRB1CYP2D6
Oxalic Acid SCHEMBL6321308 0.82 KMT2A (0.62) KMT2AADRB3ADRB2ADRB1CYP2D6
Oxalic Acid SCHEMBL6320367 0.82 KMT2A (0.62) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6319865 0.81 KMT2A (0.61) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6321718 0.81 KMT2A (0.60) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL18461272 0.79 KMT2A (0.72) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6319503 0.79 KMT2A (0.63) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6319499 0.79 KMT2A (0.63) KMT2AADRB3ADRB2ADRB1CYP2D6

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 5 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-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

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 2/4885ADRB2 3/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R KMT2A 1318/4885ADRB3 140/4885ADRB2 236/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3010/4885ADRB3 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.