SCHEMBL5456813

SCHEMBL5456813

COc1ccc(CC(=O)N2CCC(N3CCCCC3)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ATM Q13315 1/20 0.64
HTT P42858 1/20 0.62
GFER P55789 1/20 0.57
KDM4E B2RXH2 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CCR3 P51677 1/20 0.50
PKM P14618 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
PDE2A O00408 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL2833221 0.87 L3MBTL3 (0.59) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL13089991 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL2832797 0.85 KMT2A (0.52) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL3780606 0.83 HTT (0.57) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL1333910 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL4375187 0.79 KMT2A (0.73) ALDH1A1MEN1KMT2AGFERHSD17B10
SCHEMBL4377238 0.78 KMT2A (0.71) ALDH1A1MEN1KMT2AHTTGFER
SCHEMBL11075434 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL4384250 0.77 KMT2A (0.64) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2832012 0.77 ACHE (0.64) ALDH1A1MEN1KMT2AKDM4EHPGD

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-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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 (1 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A ALDH1A1 172/4885MEN1 4813/4885KMT2A 234/4885

“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.