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Sugi Predict / Compounds / SCHEMBL8320319

SCHEMBL8320319

SCHEMBL8320319

Cc1cc2c(NC(C)c3nc4cc(Cl)ccc4[nH]3)ccnc2cc1C(=O)N1CCC[C@@H]1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL5610491 1.00 PREP (0.36) PREPSLC22A12NR4A2TAAR1TLR9
SCHEMBL5610494 1.00 PREP (0.36) PREPSLC22A12NR4A2TAAR1TLR9
SCHEMBL13772633 0.91 PREP (0.37) PREPNR4A2TAAR1HCRTR1HCRTR2
SCHEMBL2994902 0.86 NR4A2 (0.41) NR4A2TAAR1KDM4EGAAMAPT
SCHEMBL3004192 0.83 SOS1 (0.37) PREPSLC22A12HCRTR1HCRTR2KDM4E
SCHEMBL4156704 0.83 SOS1 (0.37) PREPSLC22A12HCRTR1HCRTR2KDM4E
SCHEMBL3000818 0.83 SOS1 (0.37) PREPSLC22A12HCRTR1HCRTR2KDM4E
SCHEMBL5103670 0.81 TDP1 (0.42) HCRTR1HCRTR2KDM4ETDP1L3MBTL1
SCHEMBL8334752 0.81 TDP1 (0.42) HCRTR1HCRTR2KDM4ETDP1L3MBTL1
SCHEMBL5103666 0.81 TDP1 (0.42) HCRTR1HCRTR2KDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PREP 792/4885SLC22A12 1933/4885NR4A2 2419/4885

“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.