SCHEMBL89589

SCHEMBL89589

COCCCOc1cc(C)c(C)c(CNC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CD274 Q9NZQ7 4/20 0.36
PDCD1 Q15116 3/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8265459 0.88 KDM4E (0.35) KDM4EMEN1GAAHTTKMT2A
SCHEMBL2808851 0.81 KDM4E (0.36) KDM4EMEN1GAAHTTKMT2A
SCHEMBL1518881 0.81 KDM4E (0.38) KDM4EMEN1GAAHTTKMT2A
SCHEMBL8265718 0.79 MEN1 (0.43) KDM4EMEN1GAAHTTKMT2A
SCHEMBL2810252 0.78 ALDH1A1 (0.37) KDM4EMEN1GAAHTTKMT2A
SCHEMBL12642796 0.78 KDM4E (0.40) KDM4EMEN1GAAHTTKMT2A
SCHEMBL89377 0.77 HPGD (0.37) KDM4EGAAALDH1A1TSHRCYP1A2
SCHEMBL89233 0.76 ALDH1A1 (0.66) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL13132346 0.76 MEN1 (0.51) KDM4EMEN1GAAHTTKMT2A
SCHEMBL13132109 0.76 KMT2A (0.39) KDM4EMEN1GAAHTTKMT2A

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 6 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP 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
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 KDM4E 1650/4885MEN1 2336/4885GAA 309/4885

“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.