SCHEMBL863356

SCHEMBL863356

CCC(C)CNC(=O)[C@H](CC(C)C)NCCC(N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
GPR88 Q9GZN0 1/20 0.39
REN P00797 3/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CTSB P07858 1/20 0.38
CACNA1B Q00975 2/20 0.38
ANPEP P15144 1/20 0.37
LAP3 P28838 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL10086436 0.83 MMP1 (0.45) MMP9MMP8MMP14MME
SCHEMBL830752 0.71 CAPN1 (0.37) CTSLCTSSCTSKRENCTSB
SCHEMBL7319574 0.70 CASR (0.53) MMP9MMP8MMP14
SCHEMBL10086406 0.69 POLB (0.46) MME
SCHEMBL7324166 0.69 ANPEP (0.50) MMP9MMP8ANPEPLAP3
SCHEMBL3774071 0.69 MAPT (0.44) CTSLCTSSCTSKCTSBANPEP
SCHEMBL3774073 0.69 MAPT (0.44) CTSLCTSSCTSKCTSBANPEP
SCHEMBL3174223 0.68 CYP3A4 (0.52)
SCHEMBL7381785 0.67 MME (0.48) CTSSCTSKMMP9MMP8MMP14
SCHEMBL8421133 0.67 MTNR1A (0.72) ANPEP

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-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS CTSL 3275/4885CTSS 2196/4885CTSK 2282/4885

“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.