SCHEMBL90408

SCHEMBL90408

CCN(Cc1ccc(OC)c(OCCCOC)c1)C(=O)[C@H]1C[C@H](C(=O)NCCC(C)C)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
REN P00797 11/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL89732 0.90 REN (0.53) CYP3A4TDP1RENPDE4BNPC1
SCHEMBL90406 0.85 REN (0.53) CYP3A4TDP1REN
SCHEMBL89340 0.84 REN (0.39) RENPDE4B
SCHEMBL1911420 0.81 REN (0.49) RENPDE4BMEN1KMT2A
SCHEMBL8235859 0.81 REN (0.47) CYP3A4TDP1RENNPC1RAB9A
SCHEMBL89310 0.80 REN (0.51) CYP3A4TDP1RENPDE4B
SCHEMBL4909145 0.78 REN (0.46) CYP3A4TDP1RENPDE4BNPC1
SCHEMBL90367 0.78 REN (0.47) CYP3A4REN
SCHEMBL89006 0.77 REN (0.48) CYP3A4TDP1RENPDE4BNPC1
SCHEMBL89696 0.77 REN (0.46) CYP3A4RENPDE4B

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CYP3A4 416/4885TDP1 2580/4885REN 1/4885

“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.