SCHEMBL3093697

SCHEMBL3093697

CNCc1ccc(Cl)c(CC2(C(N)=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A3 Q01959 6/20 0.44
HSD11B1 P28845 1/20 0.40
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 1/20 0.38
TSHR P16473 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HTR2A P28223 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3088348 0.87 ADRA2A (0.40) SLC6A4SLC6A2SLC6A3HSD11B1TSHR
SCHEMBL2635474 0.87 TSHR (0.42) HSD11B1TSHRSMN1; SMN2HPGD
SCHEMBL3081027 0.87 HSD11B1 (0.39) SLC6A4SLC6A2SLC6A3HSD11B1TSHR
SCHEMBL2635822 0.85 TSHR (0.40) HSD11B1TSHRSMN1; SMN2HPGD
SCHEMBL2635869 0.85 L3MBTL1 (0.40) SLC6A4SLC6A2SLC6A3HSD11B1HTR2A
SCHEMBL2635103 0.84 MEN1 (0.38) SLC6A4SLC6A2SLC6A3HSD11B1SMN1; SMN2
SCHEMBL2635483 0.83 KMT2A (0.40) SLC6A4SLC6A2SLC6A3HSD11B1KCNH2
SCHEMBL3093508 0.83 PRMT5 (0.47)
SCHEMBL3095986 0.83 HSD11B1 (0.37) SLC6A4SLC6A2SLC6A3HSD11B1PARP1
SCHEMBL2635159 0.82 HSD11B1 (0.37) SLC6A4SLC6A2SLC6A3HSD11B1PARP1

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 9 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 claimed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US claimed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP claimed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO claimed
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 SLC6A4 2410/4885SLC6A2 2602/4885SLC6A3 2402/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 SLC6A4 1449/4885SLC6A2 1599/4885SLC6A3 1620/4885

“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.