SCHEMBL4979013

SCHEMBL4979013

CN1CCC(NC(=O)NCc2c(F)cccc2Cl)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
P2RX7 Q99572 1/20 0.52
EPHX2 P34913 1/20 0.49
ACHE P22303 1/20 0.48
SSTR4 P31391 4/20 0.47
DRD4 P21917 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
OPRL1 P41146 1/20 0.45
SSTR1 P30872 1/20 0.45

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
SCHEMBL4981471 0.93 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1P2RX7EPHX2
SCHEMBL4979809 0.81 LMNA (0.56) ALDH1A1EPHX2SSTR4DRD4SIGMAR1
SCHEMBL4979388 0.81 P2RX7 (0.54) ALDH1A1P2RX7SSTR4DRD4SIGMAR1
SCHEMBL4982989 0.81 NPC1 (0.57) ALDH1A1P2RX7EPHX2SSTR4DRD4
SCHEMBL4982809 0.80 DRD4 (0.49) ALDH1A1P2RX7EPHX2SSTR4DRD4
SCHEMBL14263103 0.80 P2RX7 (0.56) ALDH1A1P2RX7SSTR4DRD4SSTR1
SCHEMBL4982031 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EEPHX2ACHESSTR4
SCHEMBL5459563 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1P2RX7EPHX2
SCHEMBL4981612 0.76 DRD4 (0.57) P2RX7EPHX2DRD4SIGMAR1
SCHEMBL4981951 0.76 MCHR1 (0.56) ALDH1A1EPHX2SSTR4DRD4SIGMAR1

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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 ALDH1A1 451/4885KDM4E 1044/4885TDP1 4307/4885

“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.