SCHEMBL89036

SCHEMBL89036

COCCCOc1cc(CNC2CC2)ccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MITF O75030 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL89815 0.83 MEN1 (0.54) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL90448 0.83 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL2085628 0.83 MEN1 (0.43) HTTMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2806174 0.82 MEN1 (0.53) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2086320 0.82 KMT2A (0.44) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL89109 0.78 HTT (0.45) HTTLMNAMAPK1ALDH1A1KDM4E
SCHEMBL2807945 0.77 NPC1 (0.51) HTTMEN1KMT2ALMNAMAPK1
SCHEMBL90493 0.76 HTR7 (0.50) HTTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL89209 0.75 ALDH1A1 (0.51) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL25039605 0.75 HTT (0.39) HTTLMNAMAPK1ALDH1A1KDM4E

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 HTT 943/4885MEN1 2336/4885KMT2A 3129/4885

“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.