SCHEMBL3086063

SCHEMBL3086063

CCNCCc1ccc(Cl)c(CC2(C(N)=O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
HTR5A P47898 2/20 0.40
HTR1E P28566 1/20 0.40
SIGMAR1 Q99720 7/20 0.38
HSD11B1 P28845 1/20 0.37
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
PYGL P06737 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL3081027 0.88 HSD11B1 (0.39) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL3088348 0.88 ADRA2A (0.40) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL2635461 0.86 KDM4E (0.46) HSD11B1LIPG
SCHEMBL2635811 0.85 REN (0.37) SIGMAR1HSD11B1RENMEN1KMT2A
SCHEMBL2635860 0.82 KDM4E (0.42) SIGMAR1HSD11B1RENMEN1KMT2A
SCHEMBL2635140 0.81 CA2 (0.40) HSD11B1RENCYP3A4MEN1KMT2A
SCHEMBL2635483 0.81 KMT2A (0.40) HSD11B1RENCYP3A4KMT2AKCNH2
SCHEMBL2635571 0.81 REN (0.41) HSD11B1RENCYP3A4KMT2AKCNH2
SCHEMBL3093697 0.80 SLC6A4 (0.44) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL3092901 0.79 HSD11B1 (0.39) HSD11B1RENCYP3A4MEN1KMT2A

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 HTR1A 3090/4885HTR1D 2095/4885HTR1B 2416/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTR1A 1917/4885HTR1D 1188/4885HTR1B 1250/4885

“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.