SCHEMBL5099064

SCHEMBL5099064

N#Cc1cccc(CC(=O)Nc2cc(C3(C(=O)N4CCCC4)CC3)ccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
HSD11B1 P28845 8/20 0.42
DPP7 Q9UHL4 1/20 0.42
LMNA P02545 1/20 0.41
KCNQ2 O43526 3/20 0.41
MAPK8 P45983 1/20 0.41
PARP14 Q460N5 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38

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
Hydrochloric Acid SCHEMBL5093085 0.82 F2 (0.44) HSD11B1KCNQ2ALDH1A1HPGD
SCHEMBL5091269 0.76 HSD11B1 (0.61) HSD11B1DPP7LMNAALDH1A1
SCHEMBL5089199 0.74 FASN (0.41) HSD11B1
SCHEMBL5099562 0.72 NPC1 (0.43) MAPK8ALDH1A1
SCHEMBL5091254 0.72 CHRM3 (0.54) HSD11B1DPP7
SCHEMBL7412573 0.69 ALDH1A1 (0.42) MCHR1HSD11B1ALDH1A1
SCHEMBL24372437 0.67 HSD11B1 (0.57) HSD11B1LMNAALDH1A1
SCHEMBL7122980 0.67 LMNA (0.53) DPP7LMNAKCNQ2MAPK8ALDH1A1
SCHEMBL5093243 0.66 HSD11B1 (0.64) HSD11B1LMNAALDH1A1HPGD
SCHEMBL24372370 0.66 HSD11B1 (0.58) HSD11B1DPP7LMNAALDH1A1ERCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MCHR1 1920/4885HSD11B1 1366/4885DPP7 3486/4885

“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.