SCHEMBL21744604

SCHEMBL21744604

CN(C)CC(=O)NCc1cccc2c1CCNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PARP1 P09874 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PRMT5 O14744 1/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LGALS1 P09382 1/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PNMT P11086 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL23619640 0.80 ALDH1A1 (0.47) CD44SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21744699 0.76 TERT (0.46) CD44LGALS1PNMTMAOB
SCHEMBL16269008 0.75 ACKR3 (0.50)
Hydrochloric Acid SCHEMBL5777132 0.74 CD44 (0.50) CD44ALDH1A1LMNAHTTPNMT
SCHEMBL12942082 0.74 CD44 (0.56) CD44PNMTMAOB
SCHEMBL29866041 0.73 CD44 (0.43) CD44PRMT5EEDRBBP4SUZ12
SCHEMBL27746997 0.73 CD44 (0.45) CD44SMN1; SMN2PRMT5LMNAPNMT
Hydrochloric Acid SCHEMBL4015918 0.72 CD44 (0.44) CD44SMN1; SMN2PRMT5LMNAPNMT
SCHEMBL5599090 0.71 CD44 (0.53) CD44PRMT5GAAPNMTMAOB
Hydrochloric Acid SCHEMBL16268397 0.70 CD44 (0.51) CD44PRMT5GAAPNMTMAOB

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 CD44 407/4885SMN1; SMN2 4199/4885PARP1 1671/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 CD44 407/4885SMN1; SMN2 4199/4885PARP1 1671/4885

“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.