SCHEMBL3093702

SCHEMBL3093702

CNCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
POLB P06746 1/20 0.41
CARM1 Q86X55 4/20 0.41
PRMT6 Q96LA8 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL2635104 0.90 POLB (0.50) SLC6A4SLC6A2SLC6A3POLBCARM1
SCHEMBL3088350 0.87 TAAR1 (0.44) SLC6A4SLC6A2SLC6A3POLBCARM1
SCHEMBL3081029 0.85 HTR1A (0.43) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL10186620 0.83 POLB (0.41) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL24258323 0.83 KMT2A (0.47) POLBCARM1PRMT6MEN1KMT2A
SCHEMBL12757502 0.83 CSNK2A1 (0.44) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL12757504 0.83 POLB (0.42) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL661887 0.82 POLB (0.40) SLC6A4SLC6A2SLC6A3POLBMEN1
SCHEMBL1750883 0.81 TSHR (0.44) POLBKMT2ASMN1; SMN2HRH3RAB9A
SCHEMBL2635861 0.81 SIGMAR1 (0.44) SLC6A4SLC6A2SLC6A3POLBMEN1

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.