SCHEMBL5097254

SCHEMBL5097254

CC(C)(C)OC(=O)NCC1CCCN1C(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 1/20 0.42
DRD2 P14416 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KCNK3 O14649 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
OPRD1 P41143 1/20 0.37
HSD11B1 P28845 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL5109524 0.85 HSD11B1 (0.42) HCRTR1HCRTR2DRD2ALDH1A1DPP4
SCHEMBL487434 0.76 HCRTR1 (0.43) HCRTR1HCRTR2DRD2HRH3ALDH1A1
SCHEMBL4144760 0.76 ACACB (0.40) DRD2ALDH1A1ACACBACACA
SCHEMBL4141349 0.76 ACACB (0.40) DRD2ALDH1A1ACACBACACA
SCHEMBL25180266 0.74 SMN1; SMN2 (0.44) DRD2ALDH1A1OPRD1
SCHEMBL16529112 0.74 SMN1; SMN2 (0.44) DRD2ALDH1A1OPRD1
SCHEMBL3812153 0.74 SMN1; SMN2 (0.44) DRD2ALDH1A1OPRD1
SCHEMBL5901213 0.73 ALDH1A1 (0.55) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL7120699 0.72 MET (0.38) HCRTR1HCRTR2HSD11B1RORC
SCHEMBL7050252 0.71 ALDH1A1 (0.79) ALDH1A1

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-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-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 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 HCRTR1 2124/4885HCRTR2 2049/4885DRD2 4053/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HCRTR1 2165/4885HCRTR2 2678/4885DRD2 3891/4885

“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.