SCHEMBL3079712

SCHEMBL3079712

CCN(Cc1ccc(Cl)c(C(O[SiH](C)C)C(C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NLRP3 Q96P20 1/20 0.31
PTGES O14684 1/20 0.30
AHCY P23526 1/20 0.30

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
SCHEMBL1751217 0.89 SSTR4 (0.32) HDAC3HDAC1HDAC2NCOR2
SCHEMBL1750842 0.89 LPAR1 (0.35) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL3075613 0.87 HTR2C (0.36) ALDH1A1KDM4EMEN1KMT2AHSP90AA1
SCHEMBL3095960 0.87 LPAR1 (0.35) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3085139 0.75 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3091659 0.74 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL2056117 0.74 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1752271 0.74 TSHR (0.41) TSHRPTGES
SCHEMBL27735748 0.73 CSNK2A1 (0.40)
SCHEMBL27756370 0.72 KDM4E (0.44) ALDH1A1KDM4EHPGDLMNA

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.