SCHEMBL3982871

SCHEMBL3982871

CC(C)(C)[Si](C)(C)OC1CCN(c2nccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
PIK3CD O00329 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHI3L1 P36222 2/20 0.37
CHIT1 Q13231 1/20 0.37
CHI3L2 Q15782 1/20 0.37
CHIA Q9BZP6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.35
DRD2 P14416 1/20 0.34
MEN1 O00255 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL3982869 1.00 HRH3 (0.46) HRH3PIK3CDNPC1RAB9AHPGD
SCHEMBL13634337 0.77 PIK3CD (0.48) HRH3PIK3CDNPC1RAB9AHPGD
SCHEMBL3987087 0.75 TDP1 (0.48) HRH3ALDH1A1
SCHEMBL3987092 0.75 TDP1 (0.48) HRH3ALDH1A1
SCHEMBL1025897 0.75 HRH3 (0.59) HRH3PIK3CDNPC1RAB9AHPGD
SCHEMBL27866750 0.74 HRH3 (0.54) HRH3PIK3CDNPC1RAB9AHPGD
SCHEMBL7958631 0.74 HRH3 (0.43) HRH3
SCHEMBL13035394 0.72 HPGD (0.46) HRH3NPC1RAB9AHPGDHTT
SCHEMBL12474577 0.71 HRH3 (0.51) HRH3PIK3CDNPC1RAB9AHPGD
SCHEMBL19011664 0.71 HRH3 (0.40) HRH3PIK3CDNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 US disclosed
EP-2029542-A2 PRIMARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-03-04 EP disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 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-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 HRH3 74/4885PIK3CD 1333/4885NPC1 1789/4885

“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.