SCHEMBL12469301

SCHEMBL12469301

Clc1ccccc1CN1CCC(N2CCCNCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.55
DRD2 P14416 1/20 0.55
CXCR4 P61073 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
OPRM1 P35372 5/20 0.50
ATM Q13315 1/20 0.50
CHRM3 P20309 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A13 Q16696 2/20 0.47
DRD4 P21917 1/20 0.47
CCR5 P51681 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL30077068 1.00 CHRM1 (0.55) CHRM1DRD2CXCR4ALDH1A1TSHR
SCHEMBL17523584 0.86 ALDH1A1 (0.69) CHRM1DRD2CXCR4ALDH1A1TSHR
SCHEMBL2266141 0.83 CXCR4 (0.58) CHRM1CXCR4ALDH1A1SIGMAR1CYP2A13
Hydrochloric Acid SCHEMBL7419541 0.82 CXCR4 (0.59) CHRM1CXCR4ALDH1A1SIGMAR1CYP2A13
SCHEMBL538314 0.80 SIGMAR1 (0.66) CXCR4ALDH1A1OPRM1ATMSIGMAR1
SCHEMBL7428156 0.80 SIGMAR1 (0.66) CXCR4ALDH1A1OPRM1ATMSIGMAR1
SCHEMBL17523610 0.80 CXCR4 (0.53) CHRM1DRD2CXCR4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7416879 0.79 LMNA (0.65) CXCR4ALDH1A1OPRM1ATMSIGMAR1
Hydrochloric Acid SCHEMBL2925660 0.79 LMNA (0.65) CXCR4ALDH1A1OPRM1ATMSIGMAR1
SCHEMBL1206639 0.78 SIGMAR1 (0.69) DRD2ALDH1A1TSHRRECQLSIGMAR1

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 21 patents — showing the first 20. 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-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
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP 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
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
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 CHRM1 336/4885DRD2 735/4885CXCR4 1/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 CHRM1 1577/4885DRD2 837/4885CXCR4 1/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 CHRM1 336/4885DRD2 735/4885CXCR4 1/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 CHRM1 336/4885DRD2 735/4885CXCR4 1/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 CHRM1 336/4885DRD2 735/4885CXCR4 1/4885

“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.