SCHEMBL14845107

SCHEMBL14845107

CCn1nc(C(=O)NCCN2CCCC2)c(=O)c2cc(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ CYP2D6 P10635 1/20 0.46
▸ CACNA1G O43497 3/20 0.46
▸ ACHE P22303 1/20 0.45
▸ HTR3A P46098 2/20 0.44
▸ GLA P06280 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLR1A O95602 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40

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
SCHEMBL14842605 0.86 CACNA1G (0.44) POLBCYP2D6CACNA1GACHEHTR3A
SCHEMBL14854376 0.83 TP53 (0.50) POLBCYP2D6CACNA1GACHEKDM4E
SCHEMBL14845123 0.83 LMNA (0.43) ACHEKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL17181366 0.82 SMN1; SMN2 (0.51) POLBCYP2D6CACNA1GACHEHTR3A
SCHEMBL14845085 0.82 ALDH1A1 (0.50) POLBKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL14854386 0.81 HRH3 (0.45) KDM4ESMN1; SMN2MAPTHSD17B10KMT2A
SCHEMBL15991501 0.80 HRH3 (0.47) KDM4ESMN1; SMN2MAPTHSD17B10KMT2A
SCHEMBL14854445 0.79 POLB (0.47) POLBCYP2D6CACNA1GACHEHTR3A
SCHEMBL14854486 0.79 POLB (0.46) POLBCYP2D6CACNA1GACHEHTR3A
SCHEMBL12381245 0.76 POLB (0.68) POLBCYP2D6CACNA1GHTR3AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 — — EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — WO disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — 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-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 POLB 2986/4885CYP2D6 135/4885CACNA1G 3627/4885

“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.

Send feedback