SCHEMBL90032

SCHEMBL90032

CC(C)OCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 1/20 0.45
PTGES O14684 1/20 0.45
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL6433208 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ATRPM8LMNA
SCHEMBL9442800 0.77 ALDH1A1 (0.68) ALDH1A1TRPM8LMNASMN1; SMN2NPC1
SCHEMBL10421750 0.76 ALDH1A1 (0.57) ALDH1A1TRPM8LMNASMN1; SMN2NPC1
SCHEMBL15670911 0.75 HPGD (0.52) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL1898753 0.75 MEN1 (0.56) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL15670800 0.74 LMNA (0.43) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1128948 0.74 NPC1 (0.64) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL4831257 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATRPM8LMNA
SCHEMBL18216887 0.73 LMNA (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29993293 0.72 LMNA (0.55) ALDH1A1MEN1KMT2ALMNANPC1

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 38/4885MEN1 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.