SCHEMBL12468802

SCHEMBL12468802

O=C(O)N1CCCN(C2CCN(Cc3ccccc3Cl)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
FAAH O00519 1/20 0.51
CHRM1 P11229 2/20 0.51
DRD2 P14416 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
CXCR4 P61073 3/20 0.49
ACHE P22303 1/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM3 P20309 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL30077045 0.84 ALDH1A1 (0.54) POLBCHRM1DRD2MEN1KMT2A
SCHEMBL12685357 0.84 ALDH1A1 (0.54) POLBCHRM1DRD2MEN1KMT2A
SCHEMBL17523584 0.82 ALDH1A1 (0.69) POLBCHRM1DRD2ALDH1A1CXCR4
SCHEMBL2931693 0.82 FAAH (0.70) POLBFAAHMEN1KMT2AALDH1A1
SCHEMBL3599380 0.81 ACHE (0.69) MEN1KMT2AALDH1A1ACHETSHR
SCHEMBL17523610 0.81 CXCR4 (0.53) POLBCHRM1DRD2MEN1KMT2A
SCHEMBL12469408 0.78 POLB (0.44) POLBCHRM1DRD2ALDH1A1CXCR4
SCHEMBL4464843 0.76 ACHE (0.62) MEN1KMT2AALDH1A1ACHETSHR
SCHEMBL30077068 0.76 CHRM1 (0.55) CHRM1DRD2ALDH1A1CXCR4ATM
SCHEMBL12469301 0.76 CHRM1 (0.55) CHRM1DRD2ALDH1A1CXCR4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (5 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 POLB 4392/4885FAAH 1295/4885CHRM1 336/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 POLB 4285/4885FAAH 1185/4885CHRM1 1577/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885FAAH 1295/4885CHRM1 336/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885FAAH 1295/4885CHRM1 336/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 POLB 4392/4885FAAH 1295/4885CHRM1 336/4885

“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.