SCHEMBL2953375

SCHEMBL2953375

OCCC#Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
FFAR1 O14842 1/20 0.42
DRD2 P14416 3/20 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
SCHEMBL11553778 0.94 MAPK14 (0.47) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL11551462 0.89 MAPK14 (0.44) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL11555048 0.89 HRH3 (0.47) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL9672085 0.89 HRH3 (0.49) HRH3GABRPGABRDGABRA1GABRB1
SCHEMBL2955493 0.88 GABRP (0.47) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL2955972 0.86 KDM4E (0.46) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL10454979 0.82 GABRP (0.45) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL103643 0.82 MMP2 (0.47) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL13985946 0.81 DRD2 (0.36) MAPK14HRH3GABRPGABRDGABRA1
SCHEMBL4951636 0.80 MELK (0.43) MAPK14HRH3GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2807153-B1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-9708275-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-07-18 US disclosed
US-9708275-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-07-18 US disclosed
US-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2016-09-08 US disclosed
US-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2016-09-08 US disclosed
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use NOVARTIS AG (CH) 2015-01-08 US disclosed
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use NOVARTIS AG (CH) 2015-01-08 US disclosed
WO-2013110134-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-08-01 WO disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
US-5597776-A ANTAGONIST FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5374609-A Cyclohexenone oxime ethers and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5250505-A Particularly effective against grasses; low application rate; high selectivity; nonphytotoxic when used for broad-leaf crops and rice BASF AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 EP disclosed
US-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (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-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE AGTR2, AGTR1, BDKRB2 MAPK14 861/4885HRH3 63/4885GABRP 362/4885
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use AGTR2, AGTR1, BDKRB2 MAPK14 833/4885HRH3 66/4885GABRP 360/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 MAPK14 2273/4885HRH3 443/4885GABRP 85/4885

“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.