SCHEMBL2750286

SCHEMBL2750286

CC(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.67
SLC6A2 P23975 2/20 0.66
TAAR1 Q96RJ0 2/20 0.66
MAOA P21397 2/20 0.66
SLC6A4 P31645 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
SLC6A3 Q01959 1/20 0.66
CYP2A6 P11509 1/20 0.66
ADORA2A P29274 1/20 0.66
ADORA1 P30542 1/20 0.66
MAOB P27338 3/20 0.64
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LAP3 P28838 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
SCHEMBL12532788 1.00 LTA4H (0.67) LTA4HSLC6A2TAAR1MAOASLC6A4
SCHEMBL2750285 1.00 LTA4H (0.67) LTA4HSLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL9021063 0.98 MAOB (0.67) LTA4HSLC6A2TAAR1MAOASLC6A4
SCHEMBL9021092 0.95 LTA4H (0.61) LTA4HSLC6A2TAAR1MAOASLC6A4
SCHEMBL2736160 0.86 LTA4H (0.61) LTA4HSLC6A2MAOASIGMAR1SLC6A3
SCHEMBL9626485 0.85 SLC6A2 (0.70) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL2747423 0.85 TAAR1 (0.65) SLC6A2TAAR1MAOASLC6A4SIGMAR1
SCHEMBL2747426 0.85 TAAR1 (0.65) SLC6A2TAAR1MAOASLC6A4SIGMAR1
SCHEMBL21583868 0.85 TAAR1 (0.65) SLC6A2TAAR1MAOASLC6A4SIGMAR1
SCHEMBL30211131 0.85 TAAR1 (0.65) SLC6A2TAAR1MAOASLC6A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. 2023-01-19 US disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20180064819-A1 Targeting Ligands SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-03-08 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 US disclosed
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 WO disclosed
US-20030171435-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them DRUG ABUSE SCIENCES, INC. 2003-09-11 US disclosed
EP-1331219-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them Drug Abuse Sciences, Inc. (US) 2003-07-30 EP disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO disclosed
US-4329367-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-05-11 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 (7 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP LTA4H 4157/4885SLC6A2 3436/4885TAAR1 4174/4885
US-20230020092-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS HNRNPAB, SNRPE, HNRNPA2B1 LTA4H 4097/4885SLC6A2 1820/4885TAAR1 4376/4885
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C LTA4H 958/4885SLC6A2 173/4885TAAR1 76/4885
US-20180064819-A1 Targeting Ligands FABP1, SNRPE, HAVCR2 LTA4H 3621/4885SLC6A2 4575/4885TAAR1 3408/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 LTA4H 3095/4885SLC6A2 3898/4885TAAR1 3730/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP LTA4H 4147/4885SLC6A2 3422/4885TAAR1 4189/4885
US-20030171435-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them TAAR5, CHAT, CES2 LTA4H 2232/4885SLC6A2 5/4885TAAR1 8/4885

“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.