SCHEMBL4753148

SCHEMBL4753148

OC(COc1ccc2ccccc2c1)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 2/20 0.65
POLB P06746 1/20 0.64
CACNA1G O43497 4/20 0.63
KCNH2 Q12809 2/20 0.63
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
HTT P42858 1/20 0.58
UBE2N P61088 1/20 0.58
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ABCB1 P08183 2/20 0.57

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
SCHEMBL4580492 0.91 KDM4E (0.82) KDM4ESMN1; SMN2CYP2D6MAPTPOLB
SCHEMBL13621747 0.85 CACNA1G (0.87) KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP2C9
SCHEMBL16371128 0.85 KDM4E (0.77) KDM4ESMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL9330581 0.84 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL31302688 0.84 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL24355418 0.84 KDM4E (0.97) KDM4ESMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL13033243 0.84 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP2C9
SCHEMBL15275480 0.83 HTR7 (0.76) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL16392457 0.82 SMN1; SMN2 (0.97) KDM4ESMN1; SMN2CYP2C19MAPTPOLB
SCHEMBL4579674 0.82 SMN1; SMN2 (0.97) KDM4ESMN1; SMN2CYP2C19MAPTPOLB

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 4 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-8039505-B2 Compounds for modulating T-cells UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-10-18 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
US-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2008-11-27 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-20080293739-A1 COMPOUNDS FOR MODULATING T-CELLS CD4, HLA-DRB1, CD74 KDM4E 1748/4885SMN1; SMN2 1217/4885ALDH1A1 430/4885

“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.