SCHEMBL3086098

SCHEMBL3086098

COCCCc1ccc(Cl)cc1CC1(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TLR8 Q9NR97 1/20 0.34
AKT2 P31751 3/20 0.33
AKT1 P31749 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.33
P2RX7 Q99572 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
S1PR4 O95977 1/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL15716476 0.74 HTT (0.44) HTTALDH1A1TLR8LMNAMAPK1
SCHEMBL21507766 0.73 ALDH1A1 (0.43) HTTALDH1A1TLR8LMNAMAPK1
SCHEMBL1072945 0.72 CYP3A4 (0.42) HTTALDH1A1AKT2AKT1LMNA
SCHEMBL1826118 0.72 AKT2 (0.51) HTTAKT2AKT1MAPK1SLC6A4
SCHEMBL3086095 0.71 HTT (0.43) HTTALDH1A1LMNAMAPK1KDM4E
SCHEMBL28769472 0.70 ALDH1A1 (0.42) HTTALDH1A1TLR8LMNAMAPK1
SCHEMBL3360733 0.70 LMNA (0.43) HTTALDH1A1LMNAMAPK1KDM4E
SCHEMBL3354468 0.70 LMNA (0.43) HTTALDH1A1LMNAMAPK1KDM4E
SCHEMBL24244300 0.69 HTT (0.57) HTTALDH1A1TLR8MAPK1S1PR4
SCHEMBL17630202 0.69 PYCR1 (0.40) HTTALDH1A1AKT2AKT1LMNA

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 3 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

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 2716/4885ALDH1A1 387/4885TLR8 4088/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTT 2643/4885ALDH1A1 313/4885TLR8 4026/4885

“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.