SCHEMBL3085139

SCHEMBL3085139

CCN(Cc1ccc(Cl)c(CO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL3080688 0.88 TSHR (0.36) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL1750787 0.87 SSTR4 (0.39) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL1750281 0.86 BACE1 (0.36) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL3092565 0.85 S1PR1 (0.38) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3085983 0.85 SLC6A4 (0.41) ALDH1A1HTTMEN1KMT2ARIPK1
SCHEMBL3079714 0.83 HDAC3 (0.38) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL3087726 0.82 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL3091659 0.81 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL2056117 0.81 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL1751560 0.80 REN (0.40) HDAC3S1PR1

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 HDAC3 69/4885HDAC1 82/4885HDAC2 75/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HDAC3 224/4885HDAC1 219/4885HDAC2 172/4885

“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.