SCHEMBL5652216

SCHEMBL5652216

NCC1CCCN(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
PREP P48147 4/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
TSHR P16473 1/20 0.44
DPP4 P27487 3/20 0.44
DPP7 Q9UHL4 2/20 0.44
KCNH2 Q12809 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 1/20 0.43

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
SCHEMBL27571961 0.93 TPSAB1 (0.49) CTSLCTSBCTSKTPSAB1TPSD1
SCHEMBL5649053 0.89 CTSL (0.46) CTSLCTSBCTSKPREPTSHR
SCHEMBL6135645 0.87 TSHR (0.47) CTSLCTSBCTSKTPSAB1TPSD1
SCHEMBL27518718 0.83 CTSL (0.46) CTSLCTSBCTSKTPSAB1TPSD1
SCHEMBL6647588 0.83 DPP4 (0.50) CTSLCTSBCTSKPREPTSHR
SCHEMBL28743107 0.81 CTSL (0.48) CTSLCTSBCTSKPREPTSHR
SCHEMBL5650627 0.81 PRMT5 (0.50) CTSLPREP
SCHEMBL27522365 0.80 TSHR (0.45) CTSLCTSBCTSKTSHRDPP4
SCHEMBL6367944 0.80 DPP4 (0.46) CTSLCTSBCTSKPREPTPSAB1
SCHEMBL3864756 0.79 HTT (0.53) CTSLCTSBCTSKPREPDPP4

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 CTSL 663/4885CTSB 413/4885CTSK 867/4885

“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.