SCHEMBL3285028

SCHEMBL3285028

O=C(O)NC1CCN(CCc2cccc3ccc(=O)oc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.46
SIGMAR1 Q99720 2/20 0.45
CXCR3 P49682 2/20 0.44
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
XPO1 O14980 1/20 0.41
CHRM1 P11229 1/20 0.40
TBXA2R P21731 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL13324269 0.85 TBXA2R (0.41) DRD4SIGMAR1CXCR3ADRA1DADRA1A
SCHEMBL13324268 0.85 KCNA3 (0.49) DRD4CXCR3XPO1
SCHEMBL13324277 0.82 TBXA2R (0.43) DRD4ADRA1DADRA1AADRA1BXPO1
Hydrochloric Acid SCHEMBL3281041 0.81 TBXA2R (0.42) DRD4ADRA1DADRA1AADRA1BXPO1
SCHEMBL3936968 0.79 DRD4 (0.63) DRD4SIGMAR1CXCR3ADRA2AADRA2B
SCHEMBL4664306 0.79 XPO1 (0.40) DRD4SIGMAR1ADRA2BADRA2CADRA1A
SCHEMBL5709511 0.74 SIGMAR1 (0.60) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3285006 0.73 KCNH2 (0.55)
SCHEMBL3937679 0.72 DRD4 (0.69) DRD4SIGMAR1CXCR3
SCHEMBL27430491 0.72 SIGMAR1 (0.79) DRD4SIGMAR1CXCR3

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-7709496-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20090054418-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090054418-A1 Antibacterial Agents MRPL21, ELANE, SPOUT1 DRD4 2479/4885SIGMAR1 1144/4885CXCR3 1974/4885

“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.