SCHEMBL417252

SCHEMBL417252

CNCc1ccccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
HTR2A P28223 3/20 0.51
MCL1 Q07820 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.49
SLC6A2 P23975 6/20 0.47
SLC6A3 Q01959 5/20 0.47
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TACR1 P25103 1/20 0.46
GAA P10253 2/20 0.43
P2RX7 Q99572 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL22957875 0.85 TAS1R3 (0.46) SLC6A4ALDH1A1SLC6A2KCNH2KDM4E
SCHEMBL15118583 0.84 SLC6A4 (0.47) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL7980703 0.83 ALDH1A1 (0.62) SLC6A4ALDH1A1SLC6A2KCNH2KDM4E
SCHEMBL12852529 0.83 MCL1 (0.53) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL12000676 0.83 TACR1 (0.48) SLC6A4ALDH1A1SLC6A2KCNH2ACHE
SCHEMBL22957817 0.82 TACR1 (0.45) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL6449473 0.81 POLB (0.44) ALDH1A1KDM4EACHETAS1R3TAS1R1
SCHEMBL22957772 0.80 HTT (0.51) SLC6A4ALDH1A1PKMSLC6A2KCNH2
SCHEMBL21600828 0.80 ATM (0.45) SLC6A4ALDH1A1SLC6A2KCNH2KDM4E
SCHEMBL5547134 0.79 TAS1R3 (0.45) SLC6A4ALDH1A1SLC6A2KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2598517-B1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 US disclosed
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 US disclosed
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 SLC6A4 3321/4885HTR2A 3460/4885MCL1 79/4885
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SLC6A4 4332/4885HTR2A 273/4885MCL1 2998/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R SLC6A4 2800/4885HTR2A 205/4885MCL1 1611/4885
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC6A4 1029/4885HTR2A 1536/4885MCL1 3041/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC6A4 1029/4885HTR2A 1536/4885MCL1 3041/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SLC6A4 4428/4885HTR2A 290/4885MCL1 3146/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 SLC6A4 3049/4885HTR2A 2314/4885MCL1 1442/4885

“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.