SCHEMBL1553978

SCHEMBL1553978

CC(CC#N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
PBRM1 Q86U86 1/20 0.47
AOC3 Q16853 2/20 0.47
TRPA1 O75762 5/20 0.45
RIPK1 Q13546 1/20 0.45
GRM5 P41594 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.41
MAOB P27338 1/20 0.39

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
SCHEMBL2760210 1.00 TAAR1 (0.52) TAAR1PBRM1AOC3TRPA1RIPK1
SCHEMBL10322371 0.88 CTSS (0.48) TAAR1PBRM1
SCHEMBL7022895 0.86 FFAR1 (0.59) ALDH1A1HPGDHTT
Butane SCHEMBL11091747 0.83 TRPA1 (0.38) TAAR1PBRM1AOC3TRPA1RIPK1
SCHEMBL7380090 0.82 TSHR (0.34) TAAR1PBRM1GRM5KDM4EMEN1
SCHEMBL626140 0.80 ACHE (0.44) PBRM1GRM5ALDH1A1
SCHEMBL7470927 0.79 PBRM1 (0.36) TAAR1PBRM1TRPA1GRM5KDM4E
SCHEMBL16692529 0.79 PTGS1 (0.53) PBRM1MEN1ALDH1A1KMT2AMAOB
SCHEMBL25343596 0.78 ADRB2 (0.45) PBRM1AOC3KDM4EALDH1A1HPGD
SCHEMBL12303165 0.78 CYP2C19 (0.39) PBRM1GRM5ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
EP-4605388-A1 <SUP2/>? <SUB2/>?3?2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CXCR1 Astrazeneca AB (SE) 2025-08-27 EP disclosed
CN-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed
CN-119546577-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-28 CN disclosed
CN-119403782-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-07 CN disclosed
CN-119120399-A Cytochrome P450 monooxygenase and application thereof in synthesis of chiral tertiary alcohol 遵义医科大学 2024-12-13 CN disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
WO-2024083933-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX 3CR1 ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
EP-3383838-B1 PROCESS FOR THE CATALYTIC REVERSIBLE UNSATURATED HYDROCARBON-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2023-10-25 EP disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed
WO-2006017406-A1 CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2006-02-16 WO disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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 (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-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 TAAR1 380/4885PBRM1 2031/4885AOC3 3676/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 TAAR1 380/4885PBRM1 2031/4885AOC3 3676/4885
US-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR TAAR1 661/4885PBRM1 3941/4885AOC3 131/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 TAAR1 238/4885PBRM1 2875/4885AOC3 386/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 TAAR1 380/4885PBRM1 2031/4885AOC3 3676/4885
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 TAAR1 198/4885PBRM1 3594/4885AOC3 3790/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B TAAR1 1034/4885PBRM1 3301/4885AOC3 460/4885

“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.