SCHEMBL3567518

SCHEMBL3567518

O=C(C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)c1c[nH]c2c(-c3ccn(CCN4CCOCC4)n3)ncc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
MAPK10 P53779 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
NR5A2 O00482 1/20 0.35
PIK3CD O00329 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3583508 0.89 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL13117103 0.88 TACR3 (0.39) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL3561463 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL3563185 0.86 NTRK1 (0.37) ALDH1A1KDM4E
SCHEMBL15204118 0.83 ALDH1A1 (0.38) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL3561356 0.82 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL13117108 0.82 TACR3 (0.37) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL13117105 0.82 TACR3 (0.39) ALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL3561231 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAGAAGFER
SCHEMBL13139654 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
EP-2010525-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-07 EP disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 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 (2 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885MAPK10 2556/4885NPSR1 2908/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885MAPK10 2556/4885NPSR1 2908/4885

“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.