SCHEMBL6322829

SCHEMBL6322829

CSc1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.54
ADRB1 P08588 6/20 0.54
ADRB3 P13945 5/20 0.54
CYP2D6 P10635 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
DPP4 P27487 2/20 0.44
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 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
SCHEMBL6322832 1.00 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6322846 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6322852 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6323862 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6323866 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6319499 0.86 KMT2A (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6319503 0.86 KMT2A (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6320439 0.83 ADRB1 (0.52) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6320443 0.83 ADRB1 (0.52) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6322699 0.82 MAPT (0.62) ADRB2ADRB1ADRB3CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820957-B2 Low molecular weight amide/ester containing quaternary ammonium salts THE LUBRIZOL CORPORATION (US) 2023-11-21 US disclosed
US-20210214639-A1 LOW MOLECULAR WEIGHT AMIDE/ESTER CONTAINING QUATERNARY AMMONIUM SALTS THE LUBRIZOL CORPORATION 2021-07-15 US disclosed
US-6870005-B1 Olefin-based thermoplastic alloy, process for making the same and molded parts containing the same ACI TECHNOLOGIES, LLC (US) 2005-03-22 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-6670421-B1 Olefin-polyamide thermoplastic alloy and process for making the same ACI TECHNOLOGIES, LLC 2003-12-30 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-0137518-B1 BLENDS OF POLYOLEFIN GRAFT POLYMERS AND ASA POLYMERS, SMA POLYMERS AND CONDENSATION POLYMERS OCCIDENTAL CHEMICAL CORPORATION (US) 1987-10-21 EP disclosed
US-4562229-A OMPROVED MOLAR MISCIBILITY OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US disclosed
EP-0137518-A2 Blends of polyolefin graft polymers and ASA polymers, SMA polymers and condensation polymers OCCIDENTAL CHEMICAL CORPORATION (US) 1985-04-17 EP disclosed
US-4454300-A Blends of vinyl halide-polyolefin graft polymers and SMA polymers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-06-12 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885

“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.