SCHEMBL12469440

SCHEMBL12469440

O=C(O)c1cccc(N2CCCNCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.62
PRKCQ Q04759 2/20 0.62
PRKCD Q05655 2/20 0.62
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.47
HSD11B1 P28845 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PIM2 Q9P1W9 1/20 0.47
GNE Q9Y223 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 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
SCHEMBL27415238 0.94 PRKCA (0.59) PRKCAPRKCQPRKCDHTR3EHTR3B
SCHEMBL30077193 0.89 PRKCA (0.65) PRKCAPRKCQPRKCDHTR3EHTR3B
SCHEMBL15347217 0.89 PRKCA (0.65) PRKCAPRKCQPRKCDHTR3EHTR3B
SCHEMBL836939 0.86 GNE (0.60) PRKCAPRKCQPRKCDALDH1A1HSD11B1
SCHEMBL14879835 0.86 GNE (0.56) PRKCAPRKCQPRKCDALDH1A1HSD11B1
SCHEMBL1781915 0.85 HSD11B1 (0.61) PRKCAPRKCQPRKCDALDH1A1HSD11B1
SCHEMBL31432279 0.85 HSD11B1 (0.61) PRKCAPRKCQPRKCDALDH1A1HSD11B1
SCHEMBL15347230 0.84 PRKCA (0.57) PRKCAPRKCQPRKCDHTR3EHTR3B
SCHEMBL30077115 0.84 PRKCA (0.57) PRKCAPRKCQPRKCDHTR3EHTR3B
SCHEMBL21493103 0.82 PRKCQ (0.62) PRKCAPRKCQPRKCDHTR3EHTR3B

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 13 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
WO-2020222190-A1 CRYSTALLINE FORM OF 6-[4-[1 -(PROPAN-2-YL)PIPERIDIN-4-YL]-1,4-DIAZEPAN-1 -YL]-N-(PYRDIN-4-YL)PYRIDINE-2-CARBOXAMIDE PROXIMAGEN, LLC (US) 2020-11-05 WO disclosed
WO-2020222189-A1 CRYSTALLINE FORM OF 6-[4-[1-(PROPAN-2-YL)PIPERIDIN-4-YL]-1,4-DIAZEPAN-1-YL]-N-(PYRDIN-4-YL)PYRIDINE-2-CARBOXAMIDE PROXIMAGEN, LLC (US) 2020-11-05 WO 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 PRKCA 2488/4885PRKCQ 2160/4885PRKCD 1936/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 PRKCA 3119/4885PRKCQ 3159/4885PRKCD 2540/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 PRKCA 2488/4885PRKCQ 2160/4885PRKCD 1936/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 PRKCA 2488/4885PRKCQ 2160/4885PRKCD 1936/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 PRKCA 2488/4885PRKCQ 2160/4885PRKCD 1936/4885

“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.