SCHEMBL23558604

SCHEMBL23558604

Oc1cc(-c2nnc(-c3ccc4[nH]cnc4c3)o2)ccc1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 17/20 0.40
QPCTL Q9NXS2 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL25864820 0.84 QPCT (0.47) QPCTQPCTLSNCA
SCHEMBL25864786 0.74 SNCA (0.38) SNCA
SCHEMBL30355776 0.73 ERN1 (0.40) QPCT
SCHEMBL23523807 0.73 ERN1 (0.40) QPCT
SCHEMBL12619082 0.71 S1PR1 (0.58)
Hydrochloric Acid SCHEMBL1795254 0.71 S1PR1 (0.57)
SCHEMBL1706431 0.69 QPCT (0.50) QPCT
SCHEMBL30355565 0.68 QPCT (0.38) QPCT
SCHEMBL23523914 0.68 QPCT (0.38) QPCT
SCHEMBL25863944 0.68 HSD17B1 (0.35) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 QPCT 2503/4885QPCTL 3187/4885SNCA 2550/4885

“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.