SCHEMBL21743913

SCHEMBL21743913

CC(C)(C)OC(=O)N1CCN(c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.53
ESR2 Q92731 1/20 0.52
MAPK1 P28482 1/20 0.51
NR1H2 P55055 1/20 0.51
UCHL1 P09936 1/20 0.50
MAPT P10636 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SCN9A Q15858 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ABHD6 Q9BV23 2/20 0.46
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43

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
SCHEMBL21995746 0.88 NAMPT (0.50) NAMPTESR2MAPK1MAPTTMEM97
SCHEMBL5358244 0.87 NAMPT (0.46) NAMPTMAPK1UCHL1MAPTTMEM97
SCHEMBL25003310 0.86 HTR1A (0.49) NAMPTMAPK1MAPTTMEM97SIGMAR1
SCHEMBL30885784 0.86 HTR1A (0.49) NAMPTMAPK1MAPTTMEM97SIGMAR1
SCHEMBL30150268 0.83 ESR2 (0.59) NAMPTESR2MAPK1NR1H2UCHL1
SCHEMBL11997414 0.83 ESR2 (0.55) NAMPTESR2MAPK1NR1H2UCHL1
SCHEMBL1958196 0.83 ESR2 (0.59) NAMPTESR2MAPK1NR1H2UCHL1
SCHEMBL5204205 0.83 HTR6 (0.57) MAPTLMNASCN9A
SCHEMBL21326028 0.82 ESR2 (0.54) NAMPTESR2MAPK1NR1H2UCHL1
SCHEMBL394214 0.82 NR1H2 (0.60) NAMPTESR2MAPK1NR1H2UCHL1

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 NAMPT 450/4885ESR2 1064/4885MAPK1 517/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 NAMPT 450/4885ESR2 1064/4885MAPK1 517/4885

“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.