SCHEMBL3214673

SCHEMBL3214673

N#CCCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.44
DRD2 P14416 4/20 0.44
SLC6A2 P23975 6/20 0.41
GRIN2B Q13224 2/20 0.39
GRIN1 Q05586 1/20 0.39
SLC6A4 P31645 5/20 0.38
CYP2D6 P10635 3/20 0.38
KCNH2 Q12809 3/20 0.38
AR P10275 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
FFAR1 O14842 1/20 0.35
TACR1 P25103 1/20 0.35
APP P05067 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL5534981 0.83 SLC6A3 (0.44) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL625370 0.82 GRIN2B (0.40) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL29921250 0.82 GRIN2B (0.40) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL3212475 0.77 TAAR1 (0.58) KCNH2TSHRGAA
SCHEMBL23881813 0.77 SLC6A3 (0.48) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL1299443 0.77 TAAR1 (0.58) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2094830 0.77 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2090839 0.77 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL2095128 0.77 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL1046199 0.77 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SLC6A3 66/4885DRD2 127/4885SLC6A2 43/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SLC6A3 66/4885DRD2 127/4885SLC6A2 43/4885

“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.