SCHEMBL4754254

SCHEMBL4754254

c1ccc(CN2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.71
SIGMAR1 Q99720 4/20 0.64
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ATM Q13315 1/20 0.57
MC4R P32245 1/20 0.55
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DRD4 P21917 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
CYP2D6 P10635 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL28230641 0.93 HTR7 (0.80) HTR7SIGMAR1DRD4DRD2DRD3
SCHEMBL588394 0.90 SIGMAR1 (0.67) HTR7SIGMAR1ALDH1A1KDM4EATM
Hydrochloric Acid SCHEMBL587708 0.89 SIGMAR1 (0.65) HTR7SIGMAR1ALDH1A1KDM4EATM
SCHEMBL13149612 0.87 HTR7 (0.63) HTR7SIGMAR1ALDH1A1KDM4EKMT2A
SCHEMBL30108234 0.84 HTR7 (0.69) HTR7ALDH1A1KDM4EMC4RDRD4
SCHEMBL15826880 0.84 HTR7 (0.69) HTR7ALDH1A1KDM4EMC4RDRD4
SCHEMBL29764254 0.83 HTR7 (1.00) HTR7ALDH1A1KDM4EMEN1GAA
SCHEMBL15938148 0.83 HTR7 (1.00) HTR7ALDH1A1KDM4EMEN1GAA
SCHEMBL15938089 0.81 HTR7 (0.78) HTR7ALDH1A1KDM4EDRD4DRD2
SCHEMBL15938032 0.81 HTR7 (0.72) HTR7SIGMAR1ALDH1A1KDM4EMAPT

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
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 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 (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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 HTR7 1595/4885SIGMAR1 409/4885ALDH1A1 1004/4885

“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.