SCHEMBL5097573

SCHEMBL5097573

CCN(C(=O)c1ccc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)cc1Cl)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.46
SLC6A4 P31645 9/20 0.46
SLC6A3 Q01959 6/20 0.46
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PYGL P06737 1/20 0.38
AKT1 P31749 2/20 0.36
TSHR P16473 1/20 0.36
PRCP P42785 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8337688 0.92 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1KCNH2
SCHEMBL8337835 0.84 TDP1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1TDP1
SCHEMBL5097012 0.82 L3MBTL1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5097320 0.81 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5109481 0.81 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL4157168 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1KCNH2
SCHEMBL14196059 0.80 L3MBTL1 (0.47) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5096849 0.79 L3MBTL1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5096847 0.79 L3MBTL1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5097209 0.79 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1KDM4ELMNA

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 SLC6A2 2680/4885SLC6A4 3810/4885SLC6A3 3968/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 SLC6A2 3100/4885SLC6A4 3916/4885SLC6A3 4051/4885

“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.