SCHEMBL89889

SCHEMBL89889

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
GPR119 Q8TDV5 6/20 0.36
PGR P06401 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
REN P00797 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NSD2 O96028 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
RET P07949 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
SCHEMBL89134 0.93 GPR119 (0.37) PDE4BGPR119PGRMEN1KMT2A
SCHEMBL90536 0.91 PDE4B (0.40) PDE4BGPR119MEN1KMT2AREN
SCHEMBL89632 0.88 PDE4B (0.39) PDE4BGPR119MEN1KMT2AREN
SCHEMBL1911384 0.88 MEN1 (0.46) GPR119PGRMEN1KMT2ACYP2D6
SCHEMBL90564 0.84 GPR119 (0.33) PDE4BGPR119RENNSD2EHMT2
SCHEMBL89756 0.83 MEN1 (0.37) PDE4BGPR119MEN1KMT2AREN
SCHEMBL89909 0.81 PDE4B (0.36) PDE4BGPR119MEN1KMT2AREN
SCHEMBL89819 0.79 REN (0.44) REN
SCHEMBL89582 0.78 REN (0.35) PDE4BGPR119MEN1KMT2AREN
SCHEMBL89948 0.78 REN (0.46) REN

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PDE4B 904/4885GPR119 861/4885PGR 1050/4885

“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.