SCHEMBL4149886

SCHEMBL4149886

CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc2ncnc(N[C@@H](CCC(=O)OCc3ccccc3)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.39
FAP Q12884 2/20 0.36
IL1B P01584 2/20 0.35
AHCY P23526 3/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
DPP4 P27487 2/20 0.34
ABCB1 P08183 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 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
SCHEMBL4154026 0.91 PRMT5 (0.37) PRMT5FAPEPHA2KDREPHB4
SCHEMBL4153324 0.91 PRMT5 (0.37) PRMT5FAPEPHA2KDREPHB4
SCHEMBL4153361 0.88 ALDH1A1 (0.35) PRMT5IL1BAHCYEPHA2KDR
SCHEMBL2998637 0.82 OPRM1 (0.35) ALDH1A1
SCHEMBL2998638 0.82 OPRM1 (0.35) ALDH1A1
SCHEMBL4153302 0.82 SLC22A12 (0.34) PRMT5EPHA2KDREPHB4ALDH1A1
SCHEMBL13772295 0.79 SLC22A12 (0.34) EPHA2KDREPHB4ALDH1A1DRD2
SCHEMBL4144537 0.79 SLC22A12 (0.34) EPHA2KDREPHB4ALDH1A1DRD2
SCHEMBL2991103 0.79 ALDH1A1 (0.38) EPHA2KDREPHB4ALDH1A1MEN1
SCHEMBL2991101 0.79 ALDH1A1 (0.38) EPHA2KDREPHB4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 PRMT5 1866/4885FAP 3406/4885IL1B 367/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PRMT5 2061/4885FAP 3420/4885IL1B 872/4885

“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.