SCHEMBL5093181

SCHEMBL5093181

Cc1cc(C(=O)N2CCCC2)c(C)cc1NC(=O)Cc1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
MET P08581 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PREP P48147 1/20 0.39
AR P10275 1/20 0.39
PTGER1 P34995 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 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
SCHEMBL5099764 0.89 MET (0.46) SLC6A9MRGPRX4METNPC1RAB9A
SCHEMBL5098937 0.85 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTHSD17B10
SCHEMBL7126958 0.83 MET (0.46) SLC6A9METNPC1RAB9AALDH1A1
SCHEMBL7123540 0.82 HPGD (0.49) SLC6A9MRGPRX4METNPC1RAB9A
SCHEMBL7113075 0.82 MET (0.46) SLC6A9METNPC1RAB9AALDH1A1
SCHEMBL6554549 0.81 SLC6A9 (0.46) SLC6A9MRGPRX4METNPC1RAB9A
Hydrochloric Acid SCHEMBL6554810 0.80 SLC6A9 (0.45) SLC6A9MRGPRX4METNPC1RAB9A
SCHEMBL7124454 0.80 MET (0.45) SLC6A9MRGPRX4METALDH1A1
SCHEMBL6332087 0.79 CDK1 (0.50) SLC6A9MRGPRX4ALDH1A1HSD17B10
SCHEMBL7127088 0.77 MRGPRX4 (0.49) MRGPRX4METALDH1A1MAPT

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 SLC6A9 2754/4885MRGPRX4 1925/4885MET 2804/4885

“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.