SCHEMBL460720

SCHEMBL460720

CCCCN1CCCC(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
BCHE P06276 7/20 0.54
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
S1PR5 Q9H228 4/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL6944812 0.93 KCNH2 (0.55) SMN1; SMN2BCHEKCNH2HRH3S1PR5
SCHEMBL396677 0.88 KCNH2 (0.61) SMN1; SMN2BCHEKCNH2S1PR5S1PR4
SCHEMBL14554032 0.87 BCHE (0.66) SMN1; SMN2BCHE
SCHEMBL14217826 0.87 BCHE (0.66) SMN1; SMN2BCHE
SCHEMBL9492760 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1
SCHEMBL31549853 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1
SCHEMBL31549845 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1
SCHEMBL9493891 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1
SCHEMBL6216002 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1
SCHEMBL9494162 0.86 KCNH2 (0.64) BCHEKCNH2S1PR5S1PR4S1PR1

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
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 SMN1; SMN2 4085/4885BCHE 2486/4885KCNH2 1203/4885

“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.