SCHEMBL3080082

SCHEMBL3080082

CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(CNC2CC2)c1)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KCNH2 Q12809 1/20 0.35
S1PR1 P21453 1/20 0.34
REN P00797 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL3087726 0.90 HDAC3 (0.39) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL1752008 0.87 HDAC3 (0.36) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL3092565 0.86 S1PR1 (0.38) ALDH1A1SMN1; SMN2TAS2R14LPAR1LPAR5
SCHEMBL1750175 0.86 HDAC3 (0.35) SMN1; SMN2LPAR1LPAR5HDAC1HDAC3
SCHEMBL3092881 0.85 CACNA1B (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AREN
SCHEMBL1751081 0.84 REN (0.42) HDAC3HDAC6REN
SCHEMBL3091571 0.82 NAMPT (0.37) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL3095965 0.80 LPAR1 (0.34) ALDH1A1SMN1; SMN2TAS2R14LPAR1LPAR5
SCHEMBL3074250 0.80 CDK8 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL3092581 0.79 LPAR1 (0.37) ALDH1A1SMN1; SMN2TAS2R14LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 ALDH1A1 387/4885SMN1; SMN2 4649/4885TAS2R14 3804/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 ALDH1A1 313/4885SMN1; SMN2 4592/4885TAS2R14 3931/4885

“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.