SCHEMBL17523583

SCHEMBL17523583

CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PREP P48147 1/20 0.44

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
SCHEMBL12468980 0.86 MEN1 (0.53) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL8210703 0.86 KMT2A (0.55) ALDH1A1TP53THRBMAPTMEN1
SCHEMBL3863834 0.83 KMT2A (0.63) ALDH1A1TP53THRBMAPTMEN1
SCHEMBL12469354 0.81 HRH3 (0.48) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL19222444 0.81 HRH3 (0.48) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL2862442 0.81 ALDH1A1 (0.60) ALDH1A1TP53THRBMAPTMEN1
SCHEMBL23341424 0.80 TP53 (0.45) TP53THRBMAPTKDM4E
SCHEMBL3396768 0.80 HSD17B10 (0.60) ALDH1A1TP53THRBMAPTMEN1
SCHEMBL3396771 0.80 HSD17B10 (0.60) ALDH1A1TP53THRBMAPTMEN1
SCHEMBL18608789 0.80 MEN1 (0.58) HRH3TP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 — — US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
CN-103282360-A Cxcr4 receptor antagonists PROXIMAGEN LTD 2013-09-04 — — CN 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 (3 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885ALDH1A1 886/4885TP53 3543/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885ALDH1A1 886/4885TP53 3543/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885ALDH1A1 886/4885TP53 3543/4885

“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.

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