SCHEMBL4046221

SCHEMBL4046221

CCCC(N)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
LMNA P02545 1/20 0.34
PARP1 P09874 1/20 0.33
AGTR2 P50052 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2 P00734 1/20 0.33
CTSK P43235 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL4044728 0.90 DPP4 (0.40) DPP4PARP1CTSKDPP8DPP9
SCHEMBL4042163 0.89 DPP4 (0.40) DPP4LMNAPARP1ALDH1A1F2
SCHEMBL4042325 0.89 DPP4 (0.40) DPP4PARP1ALDH1A1KDM4EF2
SCHEMBL4040393 0.87 CTSL (0.40) DPP4CTSK
SCHEMBL4042575 0.86 DPP4 (0.41) DPP4PARP1ALDH1A1KDM4EF2
SCHEMBL4042026 0.85 DPP4 (0.46) DPP4
SCHEMBL4038911 0.85 DPP4 (0.43) DPP4ALDH1A1FAPDPP8DPP9
SCHEMBL4044945 0.85 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL4053232 0.84 CTSK (0.48) LMNAALDH1A1CTSKFAP
SCHEMBL4040449 0.84 DPP4 (0.43) DPP4LMNAPARP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS DPP4 3448/4885LMNA 3686/4885PARP1 4400/4885

“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.