SCHEMBL19733458

SCHEMBL19733458

NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 1.00
CHRM2 P08172 1/20 0.70
CYP2D6 P10635 1/20 0.70
DRD2 P14416 1/20 0.70
OPRM1 P35372 1/20 0.70
KCNH2 Q12809 1/20 0.70

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
SCHEMBL19732255 0.92 CXCR4 (0.85) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510663 0.88 CXCR4 (1.00) CXCR4
SCHEMBL2508678 0.88 CXCR4 (1.00) CXCR4
Hydrochloric Acid SCHEMBL6885350 0.88 CXCR4 (0.98) CXCR4
Hydrochloric Acid SCHEMBL6885349 0.88 CXCR4 (0.98) CXCR4
SCHEMBL2510966 0.87 CXCR4 (0.77) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2504776 0.87 CXCR4 (0.86) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2508520 0.87 CXCR4 (0.83) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2513460 0.87 CXCR4 (0.86) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL19732254 0.87 CXCR4 (1.00) CXCR4CHRM2CYP2D6DRD2OPRM1

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-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL UNIVERSITÉ PARIS CITÉ (FR) 2019-06-13 US disclosed
WO-2017216368-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-12-21 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-20190175557-A1 COMPOUNDS USEFUL FOR DECREASING INTERFERON LEVEL IFNAR1, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2611/4885CYP2D6 2951/4885

“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.