SCHEMBL2897294

SCHEMBL2897294

CC1CN(Cc2ccccc2)CCC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
TACR1 P25103 6/20 0.51
GAA P10253 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
MC4R P32245 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
OPRL1 P41146 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
SCHEMBL3318028 0.85 ACHE (0.46) ACHETACR1GAASIGMAR1MC4R
SCHEMBL3318031 0.85 ACHE (0.46) ACHETACR1GAASIGMAR1MC4R
SCHEMBL6943959 0.77 TACR1 (0.62) ACHETACR1GAASIGMAR1MC4R
SCHEMBL385325 0.77 TACR1 (0.62) ACHETACR1GAASIGMAR1MC4R
SCHEMBL467266 0.77 TACR1 (0.62) ACHETACR1GAASIGMAR1MC4R
SCHEMBL1826258 0.76 SIGMAR1 (0.58) ACHESIGMAR1MC4RLMNAPOLB
SCHEMBL1307820 0.76 SIGMAR1 (0.58) ACHESIGMAR1MC4RLMNAPOLB
SCHEMBL1471041 0.76 SIGMAR1 (0.58) ACHESIGMAR1MC4RLMNAPOLB
Hydrochloric Acid SCHEMBL10382846 0.76 LMNA (0.64) ACHETACR1GAASIGMAR1MC4R
Iodide SCHEMBL8816299 0.76 TACR1 (0.61) ACHETACR1GAASIGMAR1MC4R

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 26 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
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
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US 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 ACHE 4383/4885TACR1 29/4885GAA 4110/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 ACHE 4383/4885TACR1 29/4885GAA 4110/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 ACHE 4760/4885TACR1 46/4885GAA 4397/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 ACHE 4383/4885TACR1 29/4885GAA 4110/4885
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 ACHE 2686/4885TACR1 162/4885GAA 4580/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 ACHE 4383/4885TACR1 29/4885GAA 4110/4885

“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.