SCHEMBL16096201

SCHEMBL16096201

FC(F)(F)CCNC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
KDM4E B2RXH2 1/20 0.40
CXCR4 P61073 5/20 0.39
CXCL12 P48061 1/20 0.39
DPP7 Q9UHL4 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
OPRL1 P41146 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL23794488 0.93 IRAK4 (0.38) RAD52KDM4ECXCR4CXCL12DPP7
SCHEMBL16098510 0.87 CXCR4 (0.44) RAD52KDM4ECXCR4CXCL12DPP7
SCHEMBL3411146 0.80 GNAI3 (0.48) RAD52DPP7IRAK4
SCHEMBL18479700 0.78 IRAK4 (0.41) KDM4EDPP7IRAK4ALDH1A1
SCHEMBL31177885 0.78 IRAK4 (0.38) DPP7IRAK4
SCHEMBL18342820 0.78 OPRL1 (0.41) DPP7IRAK4OPRL1
SCHEMBL3645463 0.77 RAD52 (0.44) RAD52KDM4ECXCR4CXCL12DPP7
SCHEMBL1779849 0.77 RAD52 (0.56) RAD52KDM4ECXCR4CXCL12DPP7
SCHEMBL455085 0.77 RAD52 (0.56) RAD52KDM4ECXCR4CXCL12DPP7
SCHEMBL1356297 0.76 KDM4E (0.43) RAD52KDM4ECXCR4CXCL12DPP7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306111-A2 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-01-17 EP disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
EP-3200788-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
CN-105209443-B Indoleamine 2, 3-dioxygenase (IDO) inhibitors 百时美施贵宝公司 2018-08-07 CN disclosed
EP-2970155-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL MYERS SQUIBB CO (US) 2018-04-25 EP disclosed
US-9675571-B2 Inhibitors of indoleamine 2,3-dioxygenase (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
WO-2016053769-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-04-07 WO disclosed
US-20160022619-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 US disclosed
EP-2970155-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
CN-105209443-A Indoleamine 2, 3-dioxygenase (IDO) inhibitors BRISTOL MYERS SQUIBB CO 2015-12-30 CN disclosed
WO-2014150677-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 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 (1 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-20160022619-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT RAD52 3590/4885KDM4E 378/4885CXCR4 2711/4885

“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.