SCHEMBL17013166

SCHEMBL17013166

CC(C)Oc1nc([C@@H](C)NC2CC2)cn1COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
DPP4 P27487 4/20 0.32
DPP7 Q9UHL4 4/20 0.32
ADORA2A P29274 1/20 0.32
KCNH2 Q12809 2/20 0.31
POLB P06746 2/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL19826534 0.84 SIGMAR1 (0.36) L3MBTL1GAASLC6A4
SCHEMBL17005349 0.73 MCL1 (0.38) SMN1; SMN2
SCHEMBL17005386 0.65 ALDH1A1 (0.43) GAAPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL17013295 0.65 HPGD (0.36) L3MBTL1GAAPOLBCYP2D6
SCHEMBL1241611 0.62 POLB (0.43) SLC6A4POLBKMT2A
SCHEMBL2668674 0.62 POLB (0.43) SLC6A4POLBKMT2A
SCHEMBL30926296 0.62 GAA (0.58) L3MBTL1GAADPP4POLBSMN1; SMN2
SCHEMBL31613942 0.61 GAA (0.44) L3MBTL1GAASMN1; SMN2NPC1RAB9A
SCHEMBL16103442 0.61 ACHE (0.47) SLC6A4DRD2SMN1; SMN2MEN1KMT2A
SCHEMBL10613380 0.59 ALDH1A1 (0.52) GAADPP4DPP7KCNH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE L3MBTL1 4668/4885GAA 1408/4885HTR2A 2521/4885

“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.