SCHEMBL89378

SCHEMBL89378

COCCCN1C(=O)C(C)(C)Cc2ccc(NC3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
BACE1 P56817 4/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SYK P43405 1/20 0.33
MAPT P10636 1/20 0.32
REN P00797 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL89352 0.81 CHRM1 (0.44) TSHRRENHPGDHTTSMN1; SMN2
SCHEMBL13434000 0.81 TSHR (0.41) ALDH1A1BACE1MTORRICTORMAPKAP1
SCHEMBL90462 0.80 REN (0.51) ALDH1A1TSHRRENGAAHPGD
SCHEMBL89846 0.78 OPRM1 (0.34) BRD4ATAD2SYKREN
SCHEMBL12361844 0.78 TSHR (0.40) ALDH1A1MTORRICTORMAPKAP1MLST8
SCHEMBL89662 0.77 REN (0.48) ALDH1A1TSHRRENGAAHPGD
SCHEMBL8255122 0.77 REN (0.40) ALDH1A1BRD4ATAD2TSHRMAPT
SCHEMBL2239681 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL89485 0.74 REN (0.56) REN
SCHEMBL89564 0.73 TSHR (0.57) TSHRMAPTRENKMT2A

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 5 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

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 38/4885BACE1 1633/4885MTOR 3466/4885

“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.