SCHEMBL16471673

SCHEMBL16471673

CC(NC1CC1)c1ccc(COC=O)c(OCCCCO)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.36
CNR1 P21554 7/20 0.36
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
TEAD1 P28347 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GAA P10253 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL17013155 0.79 KDM1A (0.44) LMNAHTTSMN1; SMN2ACHE
SCHEMBL16471626 0.79 DUT (0.40) LMNAHTTSMN1; SMN2L3MBTL1GAA
SCHEMBL15435676 0.77 REN (0.37) CNR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL19526671 0.76 ACHE (0.45) LMNAHTTSMN1; SMN2L3MBTL1BCHE
SCHEMBL19526664 0.75 DUT (0.40) LMNAHTTSMN1; SMN2L3MBTL1GAA
SCHEMBL16471670 0.75 REN (0.38)
SCHEMBL17013214 0.74 REN (0.37) CNR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL12524628 0.74 PARP10 (0.41) LMNAHTTBCHEACHESRC
SCHEMBL16471664 0.72 KDM4E (0.41) LMNAHTTSMN1; SMN2
SCHEMBL16471663 0.72 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1GAA

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 5 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-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 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 (3 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 CNR2 185/4885CNR1 105/4885LMNA 2965/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE CNR2 321/4885CNR1 204/4885LMNA 3348/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 CNR2 185/4885CNR1 105/4885LMNA 2965/4885

“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.