SCHEMBL5239108

SCHEMBL5239108

CC(C)C(C#N)(CCCN1CCN(c2ccc3ccccc3n2)CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
HTR1A P08908 5/20 0.49
HTR3A P46098 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CYP1A2 P05177 1/20 0.47
THPO P40225 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5241422 0.86 CCR3 (0.46) HTR1AEBPSIGMAR1RAB9A
SCHEMBL14431859 0.84 CCR3 (0.54) HTR1AKDM4EDRD2DRD3EBP
SCHEMBL5240261 0.82 KCNH2 (0.53) HRH3HTR1ADRD2DRD3SIGMAR1
SCHEMBL5240351 0.82 HSD11B1 (0.43) ALDH1A1EBPSIGMAR1
SCHEMBL5239804 0.82 KCNA3 (0.60) HTR1ADRD2DRD3EBPSIGMAR1
SCHEMBL5240018 0.81 RAB9A (0.52) DRD2DRD3EBPSIGMAR1RAB9A
SCHEMBL5241342 0.80 DRD2 (0.44) DRD2DRD3EBPSIGMAR1LMNA
SCHEMBL5239484 0.80 RAB9A (0.52) HTR1ACYP1A2DRD2DRD3SIGMAR1
SCHEMBL5242817 0.80 HTR3A (0.45) HTR3ADRD2DRD3EBPSIGMAR1
SCHEMBL14431854 0.80 SIGMAR1 (0.51) HTR1AKDM4EDRD2DRD3EBP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E HRH3 124/4885HTR1A 126/4885HTR3A 234/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D HRH3 63/4885HTR1A 202/4885HTR3A 269/4885

“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.