SCHEMBL3081027

SCHEMBL3081027

CCNCc1ccc(Cl)c(CC2(C(N)=O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
REN P00797 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.33
P4HB P07237 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3086063 0.88 HTR1A (0.40) HSD11B1HTR1AHTR1DHTR1BHTR2A
SCHEMBL3093697 0.87 SLC6A4 (0.44) HSD11B1HTR1AHTR1DHTR1BHTR2A
SCHEMBL3093508 0.85 PRMT5 (0.47) CYP3A4PRMT5WDR77
SCHEMBL3095986 0.85 HSD11B1 (0.37) HSD11B1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2635822 0.85 TSHR (0.40) HSD11B1TSHRSMN1; SMN2RENP2RX7
SCHEMBL2635474 0.85 TSHR (0.42) HSD11B1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL2635159 0.84 HSD11B1 (0.37) HSD11B1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2635140 0.83 CA2 (0.40) HSD11B1RENCYP3A4POLB
SCHEMBL2635103 0.81 MEN1 (0.38) HSD11B1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3088348 0.80 ADRA2A (0.40) HSD11B1HTR1AHTR1DHTR1BHTR2A

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 HSD11B1 3856/4885HTR1A 3090/4885HTR1D 2095/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HSD11B1 3674/4885HTR1A 1917/4885HTR1D 1188/4885

“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.