SCHEMBL12469013

SCHEMBL12469013

NC1CCN(c2cccc(C(=O)NCC3CC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.53
HSD11B1 P28845 6/20 0.50
HTR3E A5X5Y0 1/20 0.49
MEN1 O00255 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR3A P46098 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
NAPEPLD Q6IQ20 8/20 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
SCHEMBL12469030 0.85 HSD11B1 (0.56) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL30076917 0.83 NAPEPLD (0.49) PRKCQHSD11B1CKS1BSKP1SKP2
SCHEMBL17146250 0.83 HSD11B1 (0.48) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL12685120 0.83 NAPEPLD (0.49) PRKCQHSD11B1CKS1BSKP1SKP2
SCHEMBL30076931 0.81 NAPEPLD (0.52) PRKCQHSD11B1NAPEPLD
SCHEMBL15347556 0.81 NAPEPLD (0.52) PRKCQHSD11B1NAPEPLD
SCHEMBL15347405 0.79 HSD11B1 (0.49) HSD11B1NAPEPLD
SCHEMBL30077111 0.79 HSD11B1 (0.49) HSD11B1NAPEPLD
SCHEMBL12469825 0.79 HSD11B1 (0.44) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL27665047 0.79 PRKCQ (0.62) PRKCQHSD11B1HTR3EMEN1HTR3B

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 22 patents — showing the first 20. 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-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
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
CN-103282360-A Cxcr4 receptor antagonists PROXIMAGEN LTD 2013-09-04 CN 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 (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 PRKCQ 2160/4885HSD11B1 1779/4885HTR3E 434/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 PRKCQ 2160/4885HSD11B1 1779/4885HTR3E 434/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 PRKCQ 3159/4885HSD11B1 3351/4885HTR3E 325/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 PRKCQ 2160/4885HSD11B1 1779/4885HTR3E 434/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 PRKCQ 2160/4885HSD11B1 1779/4885HTR3E 434/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 PRKCQ 2160/4885HSD11B1 1779/4885HTR3E 434/4885

“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.