SCHEMBL14670353

SCHEMBL14670353

CC1(C)Oc2cc(N[SH](=O)=O)ccc2C(c2ccc(Cl)cn2)=C1C#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL14670455 0.89 BACE1 (0.35) BACE1GRM5
SCHEMBL14670423 0.86 PTGES (0.31) BACE1
SCHEMBL3023334 0.85 NR3C2 (0.38) BACE1
SCHEMBL15062313 0.81 GRM5 (0.33) CYP3A4CYP2C9CYP2C19BACE1GRM5
SCHEMBL14670425 0.77 BACE1 (0.31) BACE1
SCHEMBL3011515 0.74 NR3C2 (0.46) CYP3A4BACE1
SCHEMBL12085058 0.74 BACE1 (0.34) BACE1GRM5
SCHEMBL14670424 0.73 BRD4 (0.34)
SCHEMBL15062299 0.72 PTGES (0.33) BACE1
SCHEMBL3016974 0.71 NR3C2 (0.39) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CYP3A4 604/4885CYP2C9 1005/4885CYP2C19 528/4885

“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.