SCHEMBL20066495

SCHEMBL20066495

CCC(C)(C)c1cc2n(n1)COc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL14234358 0.87 MME (0.34) MMEMAPK13MAPK12MAPK11MAPK14
SCHEMBL9963886 0.86 MME (0.38) MME
SCHEMBL21650176 0.82 MME (0.43) MMEMAPK13MAPK12MAPK11MAPK14
SCHEMBL23119130 0.82 MME (0.43) MMEMAPK13MAPK12MAPK11MAPK14
SCHEMBL9966410 0.78 MME (0.40) MME
SCHEMBL21650125 0.78 MME (0.33) MME
SCHEMBL19718327 0.77 MME (0.34) MME
SCHEMBL23118764 0.76 MME (0.40) MMERAB9A
SCHEMBL14979003 0.76 MME (0.40) MMENPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL20374872 0.74 CNR2 (0.35) MME

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 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-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885MAPK13 3450/4885MAPK12 2904/4885

“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.