SCHEMBL12469354

SCHEMBL12469354

CC(C)N1CCN(C)C(C(=O)N2CCCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CHRM1 P11229 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DPP4 P27487 1/20 0.45

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
SCHEMBL19222444 1.00 HRH3 (0.48) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL12468980 0.88 MEN1 (0.53) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL17523583 0.81 HRH3 (0.48) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL8189803 0.78 KMT2A (0.58) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL8190070 0.77 KMT2A (0.60) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL13808520 0.75 ALDH1A1 (0.55) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL8233499 0.75 ALDH1A1 (0.68) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL12205470 0.75 KDM4E (0.60) HRH3MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27884130 0.72 ALDH1A1 (0.62) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL6771405 0.72 HRH3 (0.68) HRH3KMT2ATSHRALDH1A1KDM4E

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 19 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-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 — — US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 — — EP 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-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-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — 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
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 — — EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 — — US disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 — — EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 — — 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 (6 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 288/4885MEN1 3457/4885KMT2A 3673/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885MEN1 3457/4885KMT2A 3673/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HRH3 260/4885MEN1 4678/4885KMT2A 4328/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885MEN1 3457/4885KMT2A 3673/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885MEN1 3457/4885KMT2A 3673/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HRH3 288/4885MEN1 3457/4885KMT2A 3673/4885

“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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