SCHEMBL5101075

SCHEMBL5101075

COC[C@@H]1CCCN1C(=O)c1ccc(C(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
USP1 O94782 3/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PRCP P42785 1/20 0.38
BACE1 P56817 3/20 0.38
KCNK3 O14649 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
PDE7B Q9NP56 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 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
SCHEMBL14177414 1.00 TDP1 (0.42) TDP1L3MBTL1HSD11B1DPP4DPP8
SCHEMBL2986514 1.00 TDP1 (0.42) TDP1L3MBTL1HSD11B1DPP4DPP8
SCHEMBL5097105 1.00 TDP1 (0.42) TDP1L3MBTL1HSD11B1DPP4DPP8
SCHEMBL8329327 1.00 TDP1 (0.42) TDP1L3MBTL1HSD11B1DPP4DPP8
SCHEMBL5101069 1.00 TDP1 (0.42) TDP1L3MBTL1HSD11B1DPP4DPP8
SCHEMBL14195567 0.94 TDP1 (0.42) TDP1L3MBTL1HSD11B1PRCPKCNK3
SCHEMBL5103935 0.92 TDP1 (0.43) TDP1L3MBTL1HSD11B1USP1TLR8
SCHEMBL14177350 0.92 TDP1 (0.43) TDP1L3MBTL1HSD11B1PRCP
SCHEMBL3003473 0.92 TDP1 (0.43) TDP1L3MBTL1HSD11B1PRCP
SCHEMBL5110179 0.92 TDP1 (0.43) TDP1L3MBTL1HSD11B1USP1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP claimed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO claimed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 TDP1 802/4885L3MBTL1 4805/4885HSD11B1 2971/4885
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 1525/4885L3MBTL1 4590/4885HSD11B1 964/4885

“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.