SCHEMBL3265268

SCHEMBL3265268

C#C[C@H](NCN1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL3265270 1.00 CTSK (0.34) CTSKCTSLCTSBGAAHPGD
SCHEMBL7822610 0.76 CTSK (0.33) CTSKGAAMEN1KMT2A
SCHEMBL1743765 0.73 DGAT1 (0.34) CTSKGAAMEN1KMT2A
SCHEMBL1278864 0.73 PTPRC (0.33) CTSKGAAMAPT
SCHEMBL16967740 0.73 MEN1 (0.33) CTSKCTSLCTSBGAAMEN1
SCHEMBL3177194 0.73 MEN1 (0.33) CTSKCTSLCTSBGAAMEN1
SCHEMBL3161545 0.73 MEN1 (0.33) CTSKCTSLCTSBGAAMEN1
SCHEMBL9452489 0.72 CHRM1 (0.44) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL6977014 0.72 CYP2D6 (0.33) CTSK
SCHEMBL3174619 0.72 CA12 (0.41) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 CTSK 1218/4885CTSL 2756/4885CTSB 1620/4885

“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.