SCHEMBL3962793

SCHEMBL3962793

CCNCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.54
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.47
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL8348550 0.88 SCN8A (0.55) SCN8AEPHX2NR1H4TSHRLMNA
Hydrochloric Acid SCHEMBL6122751 0.86 SCN8A (0.54) SCN8AEPHX2NR1H4TSHRLMNA
SCHEMBL13972833 0.85 NAMPT (0.55) TSHRLMNAALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8446857 0.84 SCN8A (0.57) SCN8AEPHX2NR1H4TSHRLMNA
SCHEMBL13123456 0.81 SCN8A (0.50) SCN8AEPHX2NR1H4TSHRKDM1A
SCHEMBL178527 0.81 EPHX2 (0.51) SCN8AEPHX2NR1H4TSHRKDM1A
SCHEMBL3394947 0.81 PYCR1 (0.54) SCN8AEPHX2NR1H4TSHRKDM1A
SCHEMBL2650571 0.80 SCN8A (0.47) SCN8AEPHX2NR1H4TSHRLMNA
SCHEMBL155707 0.80 TSHR (0.58) EPHX2NR1H4TSHRLMNAKDM1A
SCHEMBL12963217 0.80 CHRM2 (0.51) KCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-02-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-7462644-B2 Therapeutic agents ASTRAZENECA AB (SE) 2008-12-09 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
CN-1308291-C Therapeutic agents ASTRAZENECA AB (SE) 2007-04-04 CN disclosed
WO-2007008156-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTITUTED PHENYLPROPIONIC ACID AS A FREE ACID AND AS TERT-BUTYL AMINE SALT THEREOF ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
CN-1753862-A Therapeutic agents ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 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 (4 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA SCN8A 2792/4885EPHX2 3033/4885NR1H4 94/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH SCN8A 2283/4885EPHX2 394/4885NR1H4 190/4885
US-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 SCN8A 592/4885EPHX2 3014/4885NR1H4 607/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP SCN8A 2775/4885EPHX2 3214/4885NR1H4 84/4885

“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.