SCHEMBL3914009

SCHEMBL3914009

O=S(=O)(c1ccc(NCC2CCOCC2)cc1)c1cnc2c(NCC3CCOCC3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.40
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM4 Q14833 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH3A1 P30838 1/20 0.39
KDR P35968 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HTR6 P50406 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
VNN1 O95497 1/20 0.37

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
SCHEMBL3908444 0.92 HTR6 (0.46) KCNH3CNR2KDM4ETSHRHSD17B10
SCHEMBL14022904 0.91 ALDH1A1 (0.42) KCNH3CNR2KDM4ETSHRHSD17B10
SCHEMBL3918087 0.91 PIM1 (0.40) KCNH3CNR2KDM4ETSHRHSD17B10
SCHEMBL3910472 0.82 HTR2A (0.44) GRM4HTR6HTR1ADRD2HTR2A
SCHEMBL3976997 0.81 HTR6 (0.45) KCNH3TSHRHTR6HTR1ADRD2
SCHEMBL3980960 0.81 HTR6 (0.37) KDRHTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL3911171 0.81 HTR2A (0.44) KCNH3GRM4HTR6HTR1ADRD2
SCHEMBL3979528 0.74 HTR6 (0.43) TSHRHTR6HTR1ADRD2HTR2A
SCHEMBL3918840 0.73 ALDH1A1 (0.48) KDM4EALDH1A1HTR6HTR1ADRD2
Hydrochloric Acid SCHEMBL3912958 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HTR6HTR1ADRD2

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
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 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-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor CNR2, CNR1, GPR52 KCNH3 1098/4885CNR2 1/4885KDM4E 2535/4885

“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.