SCHEMBL4398323

SCHEMBL4398323

C1=C(C(Cc2ccccc2)CN2CCCC(OC(c3ccccc3)c3ccccc3)C2)OCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 3/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL4391732 0.81 ALDH1A1 (0.51) KDM4ECYP2D6CYP3A4CYP1A2MEN1
SCHEMBL8938637 0.73 SIGMAR1 (0.51) MAPK1SLC6A2SLC6A3CYP2D6CHRM2
SCHEMBL5656404 0.72 NPC1 (0.43) ADRA1AMEN1KMT2A
SCHEMBL3784355 0.72 SIGMAR1 (0.44) SLC6A2SLC6A3HTR1ASLC6A4MEN1
SCHEMBL4889326 0.69 MEN1 (0.43) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL1299631 0.69 SIGMAR1 (0.52) KDM4EMAPK1SLC6A2SLC6A3CYP2D6
SCHEMBL8499574 0.69 PRMT5 (0.48) OPRM1KCNH2LMNA
SCHEMBL5774496 0.69 TSHR (0.41) MAPK1CYP2D6CHRM1CYP3A4KMT2A
SCHEMBL11402064 0.69 SLC6A3 (0.51) KDM4EMAPK1SLC6A2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL1299136 0.68 SIGMAR1 (0.51) KDM4EMAPK1SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005309-A1 SUBSTITUTED PIPERIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008144602-A1 DEUTERATED ZAMIFENACIN DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090005309-A1 SUBSTITUTED PIPERIDINES CHRM3, CHRM2, CHRM5 KDM4E 2817/4885MAPK1 2826/4885SLC6A2 1210/4885

“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.