SCHEMBL171913

SCHEMBL171913

COc1cc(N2CCC3(CC2)OCCO3)cnc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTT P42858 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
MET P08581 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
LGMN Q99538 1/20 0.38
PIK3CD O00329 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL17893744 0.80 SLC6A2 (0.43) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL17893718 0.80 DRD2 (0.47) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL17893740 0.77 ALDH1A1 (0.42) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL17893851 0.77 ADAMTS5 (0.42) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL17893758 0.77 ALDH1A1 (0.50) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL23089191 0.75 JAK2 (0.40) ALDH1A1CHRNB2CHRNA4HTTKDM4E
SCHEMBL608791 0.75 CHRNB2 (0.56) ALDH1A1CHRNB2CHRNA4KDM4EMAPT
SCHEMBL29814682 0.75 JAK2 (0.40) ALDH1A1CHRNB2CHRNA4HTTKDM4E
SCHEMBL609770 0.75 ALDH1A1 (0.41) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL17893732 0.75 NPC1 (0.38) ALDH1A1HTTKDM4EMAPTKMT2A

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ALDH1A1 3750/4885CHRNB2 4863/4885CHRNA4 4869/4885

“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.