SCHEMBL21744699

SCHEMBL21744699

CN(C)CCNCc1cccc2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.46
CD44 P16070 2/20 0.43
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
PNMT P11086 2/20 0.36
MAOB P27338 1/20 0.36
CHRM2 P08172 1/20 0.33
LGALS1 P09382 1/20 0.32
PRCP P42785 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
Hydrochloric Acid SCHEMBL5777132 0.77 CD44 (0.50) CD44PNMTMAOBPRCPCD274
SCHEMBL21744604 0.76 CD44 (0.40) CD44PNMTMAOBLGALS1
SCHEMBL12942082 0.74 CD44 (0.56) CD44PNMTMAOBPRCP
SCHEMBL21055094 0.72 KDM4E (0.46) CD44PNMTMAOBCHRM2
Hydrochloric Acid SCHEMBL5777593 0.71 CD44 (0.46) CD44PNMTMAOBPRCP
SCHEMBL14012985 0.71 CD44 (0.53) CD44PNMTMAOBPRCP
SCHEMBL5776378 0.71 CD44 (0.49) CD44PNMTMAOBPRCPCD274
SCHEMBL330124 0.70 CD44 (0.56) CD44PNMTMAOBPRCPCD274
SCHEMBL19326980 0.70 CD44 (0.51) CD44PNMTMAOBPRCP
SCHEMBL27840574 0.68 CD44 (0.49) CD44PNMTMAOBPRCPCD274

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-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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 (2 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TERT 3277/4885CD44 407/4885ITGB2 747/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TERT 3277/4885CD44 407/4885ITGB2 747/4885

“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.