SCHEMBL4745100

SCHEMBL4745100

CCC(C)N1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR183 P32249 1/20 0.36
PKM P14618 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12469211 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL12685137 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4KDM4E
Bromide SCHEMBL3737234 0.98 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4KDM4E
Hydrochloric Acid SCHEMBL3734569 0.98 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL3737412 0.84 KDM4E (0.36) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL18640340 0.83 PARP1 (0.36) KDM4EMEN1KMT2A
SCHEMBL12685141 0.80 TRIM24 (0.32) TRIM24TRIM33PIK3CDALDH1A1
SCHEMBL11498892 0.80 PIK3CD (0.35) TRIM24TRIM33PIK3CDALDH1A1
SCHEMBL12685243 0.79 KDM4E (0.37) KDM4EHRH3PIK3CDALDH1A1LMNA
SCHEMBL11498528 0.78 OPRL1 (0.44) KDM4ETRIM24TRIM33MEN1KMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099198-A2 OSTEOGENIC COMPOUNDS INION LIMITED (GB) 2008-08-21 WO claimed
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
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
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
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 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 (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 GRIA1 352/4885GRIA2 454/4885GRIA3 483/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 GRIA1 352/4885GRIA2 454/4885GRIA3 483/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 GRIA1 408/4885GRIA2 559/4885GRIA3 420/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 GRIA1 352/4885GRIA2 454/4885GRIA3 483/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 GRIA1 352/4885GRIA2 454/4885GRIA3 483/4885

“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.