SCHEMBL2488461

SCHEMBL2488461

CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
TSHR P16473 2/20 0.61
HIF1A Q16665 2/20 0.61
ADRA1A P35348 2/20 0.61
CYP3A4 P08684 3/20 0.57
MAPK1 P28482 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP2D6 P10635 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ADRB1 P08588 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADRB3 P13945 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
MC4R P32245 1/20 0.57
OPRM1 P35372 1/20 0.57
MC3R P41968 1/20 0.57
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL29854020 1.00 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL2488460 1.00 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2795621 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2791926 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2797747 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2794710 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2791932 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2795627 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2791924 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4
Fumaric Acid SCHEMBL2791936 0.90 ADRB2 (0.81) ADRB2TSHRHIF1AADRA1ACYP3A4

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
WO-2025224043-A1 CHIRAL AMINOPHOSPHINE LIGANDS, IRIDIUM CATALYSTS COMPRISING THESE LIGANDS AND USE OF THESE CATALYSTS IN ASYMMETRIC HYDROGENATIONS F. HOFFMANN-LA ROCHE AG (CH) 2025-10-30 WO disclosed
EP-4613730-A1 LIPIDIC ALKYNYLCARBINOLS WITH ANTI-BACTERIAL AND ANTI-TUBERCULOSIS ACTIVITY Centre National de la Recherche Scientifique (FR) 2025-09-10 EP disclosed
EP-4277885-B1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HOFFMANN LA ROCHE (CH) 2025-02-26 EP disclosed
EP-3634379-B1 QUICKLY DISINTEGRATING FOAM WAFER WITH HIGH MASS PER UNIT AREA LTS LOHMANN THERAPIE SYSTEME AG (DE) 2024-08-28 EP disclosed
US-20240018076-A1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
WO-2023022231-A1 REVERSIBLE COVALENT BINDING INHIBITOR FOR TREATING OR PREVENTING VIRAL INFECTION 国立大学法人九州大学 2023-02-23 WO disclosed
US-11542479-B2 Alcohol dehydrogenase mutant and use thereof JIANGNAN UNIVERSITY (CN) 2023-01-03 US disclosed
CN-115093409-A Method for synthesizing moxifloxacin side chain by continuous hydrodebenzylation in microreactor 河南新天地药业股份有限公司 2022-09-23 CN disclosed
EP-2544676-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2013-01-16 EP disclosed
WO-2011112867-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2011-09-15 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 (1 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-20240018076-A1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HMGCR, CETP, MTTP ADRB2 555/4885TSHR 422/4885HIF1A 4329/4885

“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.