SCHEMBL19928210

SCHEMBL19928210

CCCCCCC(C)(CCCCCC)c1c[nH]nn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CNR2 P34972 2/20 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
SCHEMBL20066540 1.00 S1PR4 (0.32) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL23692666 1.00 S1PR4 (0.32) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL25979519 0.86 CNR2 (0.36) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL21719757 0.73 CNR2 (0.32) CNR2
SCHEMBL19261280 0.72 CNR2 (0.33) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL22058479 0.72 CNR2 (0.33) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL22023930 0.72 KDR (0.32) CNR2
SCHEMBL19788362 0.72 KDR (0.32) CNR2
SCHEMBL20307212 0.72 CNR2 (0.33) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL21719823 0.72 KDR (0.32) CNR2

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
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-9908877-B2 Imidazo[1,5-a]pyridinium ion fluorophores, and methods of making and using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-03-06 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-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 S1PR4 4338/4885S1PR1 3656/4885S1PR3 3793/4885

“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.