SCHEMBL16495342

SCHEMBL16495342

O=C(O)NC(c1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.47
CTSL P07711 2/20 0.41
ACHE P22303 6/20 0.40
ALOX5 P09917 4/20 0.40
EPHX2 P34913 4/20 0.40
SMYD3 Q9H7B4 1/20 0.39
IDO1 P14902 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL16494798 0.91 CAPN1 (0.40) CAPN1CTSLALOX5EPHX2IDO1
SCHEMBL16495159 0.90 ACHE (0.45) CAPN1ACHEALOX5EPHX2SMYD3
SCHEMBL16495112 0.81 SMYD3 (0.39) CAPN1CTSLACHESMYD3CTSS
SCHEMBL15701646 0.72 ADRB2 (0.47) CAPN1ACHEALOX5EPHX2ALDH1A1
SCHEMBL16495343 0.71 ACHE (0.45) CAPN1ACHEALOX5EPHX2
SCHEMBL16494822 0.71 ACHE (0.55) CAPN1ACHEALDH1A1
SCHEMBL697874 0.69 ALOX5 (0.56) CAPN1ACHEALOX5EPHX2
SCHEMBL700477 0.69 ACHE (0.52) CAPN1ACHEALOX5ALDH1A1
SCHEMBL7712397 0.69 ACHE (0.52) CAPN1ACHEALOX5EPHX2
SCHEMBL22088842 0.69 AKT1 (0.46)

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 CAPN1 1386/4885CTSL 609/4885ACHE 2/4885

“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.