SCHEMBL4489657

SCHEMBL4489657

[c]1ncccc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 13/20 0.56
CYP3A4 P08684 4/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2B6 P20813 4/20 0.42
CYP2E1 P05181 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MEN1 O00255 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
SCHEMBL15512167 0.81 CYP2A6 (0.49) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL19439 0.80 NOTUM (0.39) CYP2A6CYP3A4ALDH1A1CYP1A2ALOX15
SCHEMBL5797199 0.78 MAPT (0.43) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL4909130 0.77
SCHEMBL30473120 0.74 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL29419014 0.74 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL120088 0.74 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL38500 0.73 CYP2A6 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL5606290 0.73 CYP2A6 (0.48) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL4816619 0.73 CYP2A6 (0.53) CYP2A6ALDH1A1KDM4EMEN1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 WO claimed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP disclosed
EP-4384169-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE Arena Pharmaceuticals, Inc. (US) 2024-06-19 EP disclosed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US disclosed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP disclosed
WO-2023026185-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME ARENA PHARMACEUTICALS, INC. (US) 2023-03-02 WO disclosed
WO-2023017388-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE ARENA PHARMACEUTICALS, INC. (US) 2023-02-16 WO disclosed
WO-2001009104-A1 TRIFLUOROMETHYLPYRI(MI)DINE CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-02-08 WO disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO disclosed
EP-0257296-A1 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives BAYER AG (DE) 1988-03-02 EP disclosed
EP-0193454-A1 8-Substituted-9-hydroxyalkyl and hydroxyalkoxymethyl-guanines and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-09-03 EP 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 CYP2A6 756/4885CYP3A4 1043/4885ALDH1A1 700/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CYP2A6 788/4885CYP3A4 1191/4885ALDH1A1 682/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CYP2A6 788/4885CYP3A4 1191/4885ALDH1A1 682/4885

“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.