SCHEMBL16495115

SCHEMBL16495115

CC1(C)CN(Cc2ccccc2)c2ccc(N(CC3CCOCC3)C(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.37
CACNA1H O95180 2/20 0.37
CACNA1I Q9P0X4 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
ACHE P22303 5/20 0.35
PKM P14618 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BRD4 O60885 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL16495343 0.81 ACHE (0.45) CACNA1GCACNA1HCACNA1IPOLBMAPT
SCHEMBL16494123 0.80 ACHE (0.41) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL16494572 0.75 ACHE (0.51) ACHE
SCHEMBL16495184 0.75 SLC22A12 (0.39) MAPTKDM4EMEN1KMT2ASLC22A12
SCHEMBL16494571 0.74 ACHE (0.41) ACHE
SCHEMBL16495056 0.73 ACHE (0.37) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL16494800 0.73 ACHE (0.38) POLBMAPTACHE
SCHEMBL16495112 0.73 SMYD3 (0.39) CACNA1GCACNA1HCACNA1ISLC22A12ACHE
SCHEMBL16495195 0.73 ACHE (0.39) KDM4EMEN1KMT2AACHE
SCHEMBL16495161 0.73 ACHE (0.50) ACHEPKM

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 CACNA1G 725/4885CACNA1H 707/4885CACNA1I 729/4885

“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.