SCHEMBL89209

SCHEMBL89209

COCCCOc1cc(CNC2CC2)cc(OC)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 2/20 0.44
MITF O75030 2/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL13132096 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL89815 0.84 MEN1 (0.54) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL90448 0.84 MEN1 (0.57) ALDH1A1KDM4EPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL2806160 0.83 POLB (0.54) ALDH1A1KDM4EPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL2806174 0.83 MEN1 (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL2085628 0.81 MEN1 (0.43) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL2805213 0.81 KMT2A (0.64) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL13132094 0.81 MITF (0.56) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL13132095 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL2807612 0.80 POLB (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1

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 ALDH1A1 38/4885KDM4E 1650/4885POLB 589/4885

“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.