SCHEMBL4990612

SCHEMBL4990612

CC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1C Q13936 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CACNA1G O43497 1/20 0.34
POLQ O75417 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PPARG P37231 10/20 0.32
EPHX2 P34913 7/20 0.32
PPARA Q07869 4/20 0.32
PPARD Q03181 3/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL4981457 0.88 PSEN1 (0.33) CACNA1HCACNA1BCACNA1CPSEN1PSEN2
SCHEMBL4990983 0.86 PPARD (0.33) CACNA1HCACNA1BCACNA1CPSEN1PSEN2
SCHEMBL4987019 0.86 PPARG (0.35) CACNA1HCACNA1BCACNA1CCACNA1GPPARG
SCHEMBL4987678 0.85 CACNA1H (0.37) CACNA1HCACNA1BCACNA1CPSEN1PSEN2
SCHEMBL4989740 0.84 POLQ (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4993755 0.84 SRD5A2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4987720 0.82 PPARG (0.41) POLQALDH1A1PPARGEPHX2PPARA
SCHEMBL4986277 0.81 PPARG (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4993607 0.81 PSEN1 (0.38) CACNA1HCACNA1BCACNA1CPSEN1PSEN2
SCHEMBL4989609 0.80 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 CACNA1H 19/4885CACNA1B 6/4885CACNA1C 27/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CACNA1H 23/4885CACNA1B 8/4885CACNA1C 26/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA1H 23/4885CACNA1B 6/4885CACNA1C 28/4885

“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.