SCHEMBL2861358

SCHEMBL2861358

NCCc1ccc(C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.55
PLA2G2A P14555 1/20 0.55
TAAR1 Q96RJ0 7/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR3A P46098 1/20 0.54
BACE1 P56817 1/20 0.54
KMT2A Q03164 2/20 0.52
BLM P54132 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PARP10 Q53GL7 3/20 0.52
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
CYP2A6 P11509 2/20 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
Hydrochloric Acid SCHEMBL2386467 0.98 BLM (0.56) PLA2G10PLA2G2ATAAR1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL30503518 0.98 BLM (0.56) PLA2G10PLA2G2ATAAR1ALDH1A1CYP2C19
SCHEMBL4037830 0.87 PLA2G10 (0.52) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1
SCHEMBL28123320 0.84 PLA2G10 (0.53) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1
SCHEMBL2633786 0.82 PLA2G10 (0.55) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1
SCHEMBL8867699 0.82 PLA2G10 (0.55) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1
Terephthalic Acid SCHEMBL8743595 0.82 ALDH1A1 (0.56) TAAR1ALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL589884 0.82 ALDH1A1 (0.56) TAAR1ALDH1A1CYP2C19L3MBTL1KDM4E
Terephthalamide SCHEMBL3444098 0.81 LOXL2 (0.60) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1
SCHEMBL509167 0.81 LOXL2 (0.60) PLA2G10PLA2G2AALDH1A1CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
CN-119455003-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-119455004-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-113660957-B Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2024-12-13 CN disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
EP-0147107-B1 INDOLE DERIVATES GLAXO GROUP LIMITED (GB) 1989-08-02 EP disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 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 (6 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 PLA2G10 1592/4885PLA2G2A 651/4885TAAR1 36/4885
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R PLA2G10 2436/4885PLA2G2A 1450/4885TAAR1 109/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PLA2G10 3912/4885PLA2G2A 3832/4885TAAR1 3153/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PLA2G10 4200/4885PLA2G2A 3856/4885TAAR1 2818/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 PLA2G10 2900/4885PLA2G2A 2092/4885TAAR1 351/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL PLA2G10 3298/4885PLA2G2A 2752/4885TAAR1 4290/4885

“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.