SCHEMBL15412141

SCHEMBL15412141

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NCCC[N+](C)(C)C)nc2c1-c1cccc(C(F)(F)F)c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.39
PTGS2 P35354 5/20 0.32
EPHX2 P34913 4/20 0.32
AR P10275 1/20 0.31
SLC5A1 P13866 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
SCHEMBL15412144 0.94 ELANE (0.40) ELANEPTGS2EPHX2ARSLC5A1
SCHEMBL15434236 0.93 ELANE (0.42) ELANEAR
SCHEMBL15425438 0.91 ELANE (0.42) ELANEAR
Formic Acid SCHEMBL15412289 0.90 ELANE (0.41) ELANE
Formic Acid SCHEMBL15412290 0.89 ELANE (0.42) ELANEPTGS2EPHX2SLC5A1
SCHEMBL15412076 0.88 ELANE (0.42) ELANEPTGS2EPHX2AR
SCHEMBL15411823 0.86 ELANE (0.44) ELANESLC5A1
SCHEMBL15411066 0.86 ELANE (0.44) ELANESLC5A1
SCHEMBL15425453 0.85 ELANE (0.43) ELANEPTGS2EPHX2SLC5A1
SCHEMBL15411663 0.85 ELANE (0.42) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872509-B1 INHIBITION OF ENZYMES CHIESI FARMA SPA (IT) 2016-09-14 EP claimed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US claimed
EP-2872509-A1 INHIBITION OF ENZYMES Chiesi Farmaceutici S.p.A. (IT) 2015-05-20 EP claimed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US claimed
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 WO claimed
EP-2872509-B1 INHIBITION OF ENZYMES CHIESI FARMA SPA (IT) 2016-09-14 EP disclosed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
EP-2872509-A1 INHIBITION OF ENZYMES Chiesi Farmaceutici S.p.A. (IT) 2015-05-20 EP disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US disclosed
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 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-20140018345-A1 INHIBITION OF ENZYMES SERPINB1, ELANE, MPO ELANE 2/4885PTGS2 684/4885EPHX2 473/4885

“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.