SCHEMBL3086095

SCHEMBL3086095

COCCCc1ccc(Cl)cc1CNC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CXCR3 P49682 3/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.37
OPRL1 P41146 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
TACR1 P25103 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34

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
SCHEMBL28769472 0.88 ALDH1A1 (0.42) HTTALDH1A1KDM4EMEN1GAA
SCHEMBL2686691 0.80 BCHE (0.43) HTTBCHEACHEBACE1ALDH1A1
SCHEMBL28769483 0.80 ALDH1A1 (0.44) HTTBCHEACHEBACE1ALDH1A1
SCHEMBL1518646 0.78 MEN1 (0.37) HTTALDH1A1POLBKDM4EMEN1
SCHEMBL1081062 0.77 MEN1 (0.36) HTTBACE1ALDH1A1KDM4EMEN1
SCHEMBL660901 0.77 REN (0.41) HTTPOLBKDM4EMEN1GAA
SCHEMBL1074356 0.75 ALDH1A1 (0.43) HTTBCHEACHEBACE1ALDH1A1
SCHEMBL664745 0.75 REN (0.40) HTTBCHEACHEBACE1ALDH1A1
SCHEMBL12642807 0.74 KDM4E (0.38) HTTALDH1A1POLBKDM4EMEN1
SCHEMBL30933719 0.74 HTR2C (0.45) HTTALDH1A1KDM4EMEN1GAA

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 HTT 2716/4885BCHE 1388/4885ACHE 1157/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTT 2643/4885BCHE 995/4885ACHE 996/4885

“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.