SCHEMBL89636

SCHEMBL89636

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)Nc3c(C)cccc3OC)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.44
EPHX2 P34913 1/20 0.36
PDE4B Q07343 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
KCNH2 Q12809 2/20 0.32
STS P08842 1/20 0.32
USP30 Q70CQ3 1/20 0.32
SFRP1 Q8N474 2/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
RHOA P61586 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
SCHEMBL1911378 0.93 REN (0.44) RENEPHX2PDE4BMEN1KMT2A
SCHEMBL8235090 0.93 MAPT (0.39) RENEPHX2PDE4BMEN1KMT2A
SCHEMBL89118 0.91 REN (0.42) RENEPHX2PDE4BMEN1KMT2A
SCHEMBL89526 0.86 REN (0.56) RENKCNH2
SCHEMBL89350 0.84 REN (0.42) RENEPHX2PDE4BMEN1KMT2A
SCHEMBL89594 0.83 REN (0.41) RENMEN1KMT2AMAPT
SCHEMBL89744 0.82 REN (0.42) RENMEN1KMT2AMAPT
SCHEMBL90532 0.82 REN (0.49) RENPDE4BNPSR1MAPTKCNH2
SCHEMBL90536 0.80 PDE4B (0.40) RENEPHX2PDE4BMEN1KMT2A
SCHEMBL1911399 0.80 EPHX2 (0.40) RENEPHX2MEN1KMT2AMAPT

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 2 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

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 REN 1/4885EPHX2 1205/4885PDE4B 904/4885

“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.