SCHEMBL16495396

SCHEMBL16495396

COc1ccc(N(C(=O)O)c2ccc3c(c2)C(C)(C)CN3Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
MAPT P10636 2/20 0.40
RNF4 P78317 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
TP53 P04637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
GHSR Q92847 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL16495185 0.91 CYP3A4 (0.39) CYP2D6TSHR
SCHEMBL16495184 0.89 SLC22A12 (0.39) MAPTSIGMAR1
SCHEMBL16495403 0.86 BCHE (0.39) ACHEMAPTTP53PTGDR2
SCHEMBL16494548 0.78 ACHE (0.54) ACHEMAPT
SCHEMBL16495217 0.77 HDAC1 (0.35) ACHETP53OPRM1OPRL1TSHR
SCHEMBL16494772 0.74 ALDH1A1 (0.52) ACHEMAPT
SCHEMBL16495104 0.73 NPC1 (0.39) TP53OPRM1OPRL1TSHRSIRT1
SCHEMBL16495089 0.73 ACHE (0.57) ACHE
SCHEMBL16495115 0.73 CACNA1G (0.37) ACHEMAPT
SCHEMBL16494726 0.72 SIGMAR1 (0.44) OPRM1SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT ACHE 2/4885MAPT 2067/4885RNF4 3829/4885

“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.