SCHEMBL16495159

SCHEMBL16495159

CN1CCC(C(NC(=O)O)c2ccc3c(c2)CCN3Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.45
CAPN1 P07384 1/20 0.45
F10 P00742 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
ALOX5 P09917 3/20 0.40
EPHX2 P34913 3/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL16495342 0.90 CAPN1 (0.47) ACHECAPN1SMYD3ALOX5EPHX2
SCHEMBL16494798 0.82 CAPN1 (0.40) CAPN1ALOX5EPHX2AKT1ALDH1A1
SCHEMBL8617331 0.75 ACHE (0.46) ACHE
SCHEMBL15701646 0.74 ADRB2 (0.47) ACHECAPN1ALOX5EPHX2ALDH1A1
SCHEMBL700477 0.72 ACHE (0.52) ACHECAPN1ALOX5ALDH1A1
SCHEMBL16495161 0.71 ACHE (0.50) ACHE
SCHEMBL8615723 0.70 ACHE (0.59) ACHE
SCHEMBL14149903 0.70 ALOX5 (0.48) ACHEALOX5EPHX2ALDH1A1ADRB2
SCHEMBL16494819 0.70 ACHE (0.54) ACHEALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6840328 0.70 ACHE (0.54) ACHECAPN1ALOX5EPHX2

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 2/4885CAPN1 1386/4885F10 1709/4885

“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.