SCHEMBL5100460

SCHEMBL5100460

CC(NC(=O)c1ccc(C(=O)N2CCCCC2CN(C)C2CCCCC2)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX12 P18054 1/20 0.36
APOBEC3A P31941 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PRCP P42785 2/20 0.36
GRM5 P41594 1/20 0.35
GAA P10253 1/20 0.35
PYGL P06737 3/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL3000802 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL6523977 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL4239498 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5110954 0.89 HSD11B1 (0.46) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5110309 0.89 HSD11B1 (0.41) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL6532599 0.89 HSD11B1 (0.43) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5096635 0.89 HSD11B1 (0.43) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5104083 0.89 HSD11B1 (0.44) HSD11B1TDP1L3MBTL1PRCPOPRK1
SCHEMBL3003473 0.87 TDP1 (0.43) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5103935 0.87 TDP1 (0.43) HSD11B1TDP1L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US 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-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-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-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-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

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HSD11B1 964/4885TDP1 1525/4885L3MBTL1 4590/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HSD11B1 554/4885TDP1 1062/4885L3MBTL1 4452/4885

“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.