SCHEMBL3744875

SCHEMBL3744875

CCCC(C)CCC(=O)N1C(=O)OC(c2ccccc2)C1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.35
PTGDR2 Q9Y5Y4 9/20 0.35
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
MDM2 Q00987 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL3112094 1.00 IDH1 (0.35) IDH1PTGDR2NAAATDP1ATM
SCHEMBL1198445 1.00 IDH1 (0.35) IDH1PTGDR2NAAATDP1ATM
SCHEMBL1198446 1.00 IDH1 (0.35) IDH1PTGDR2NAAATDP1ATM
SCHEMBL7154474 1.00 IDH1 (0.35) IDH1PTGDR2NAAATDP1ATM
SCHEMBL1199189 0.93 NAAA (0.35) IDH1PTGDR2NAAATDP1
SCHEMBL1199188 0.93 NAAA (0.35) IDH1PTGDR2NAAATDP1
SCHEMBL13752138 0.93 NAAA (0.35) IDH1PTGDR2NAAATDP1
SCHEMBL3126602 0.92 PTPN1 (0.37) IDH1PTGDR2NAAA
SCHEMBL14559552 0.92 PTPN1 (0.37) IDH1PTGDR2NAAA
SCHEMBL3123763 0.92 PTPN1 (0.37) IDH1PTGDR2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196201-A2 Combination of an alpha-2-delta ligand with a pdev inhibitor or a muscarinic antagonist to treat lower urinary tract symptoms Warner-Lambert Company LLC (US) 2010-06-16 EP disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 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 (1 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-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D IDH1 958/4885PTGDR2 58/4885NAAA 708/4885

“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.