SCHEMBL19639766

SCHEMBL19639766

CN(C)CCc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.48
MAPT P10636 3/20 0.44
HTR6 P50406 1/20 0.42
SLC6A4 P31645 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KAT2B Q92831 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 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
SCHEMBL23320015 0.81 VCAM1 (0.51) VCAM1MAPTLMNAPKMKAT2B
SCHEMBL31432406 0.81 VCAM1 (0.51) VCAM1MAPTLMNAPKMKAT2B
SCHEMBL25784409 0.79 TSHR (0.53) MAPTKAT2BALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL23861124 0.78 TSHR (0.50) MAPTHTR6LMNAPKMALDH1A1
SCHEMBL30060723 0.78 TSHR (0.50) MAPTHTR6LMNAPKMALDH1A1
SCHEMBL9195710 0.77 VCAM1 (0.54) VCAM1MAPTLMNAPKMKAT2B
SCHEMBL14681249 0.77 VCAM1 (0.54) VCAM1MAPTLMNAPKMKAT2B
SCHEMBL249183 0.77 VCAM1 (0.54) VCAM1MAPTSLC6A4LMNAPKM
SCHEMBL6382390 0.75 ALDH3A1 (0.51) VCAM1MAPTLMNAALDH1A1HPGD
SCHEMBL6426528 0.75 ALDH1A1 (0.43) MAPTHRH3ALDH1A1SMN1; SMN2SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP disclosed
EP-3464269-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
WO-2017207433-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2018-03-01 WO disclosed
US-9862706-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-09 US disclosed
US-9862706-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-09 US disclosed
WO-2017207433-A1 HETETOCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed
US-20170342056-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US disclosed
US-20170342056-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 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-20170342056-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO VCAM1 337/4885MAPT 4326/4885HTR6 4315/4885

“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.