SCHEMBL3328948

SCHEMBL3328948

CC(Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.55
PIK3CA P42336 1/20 0.55
HDAC1 Q13547 1/20 0.48
ABHD6 Q9BV23 4/20 0.47
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
NAMPT P43490 3/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL11929934 0.83 HDAC1 (0.54) MTORPIK3CAHDAC1ESR2NR1H2
SCHEMBL13336894 0.78 MAPK1 (0.59) MTORPIK3CAABHD6NAMPTALDH1A1
SCHEMBL2335199 0.78 ABHD6 (0.72) MTORPIK3CAHDAC1ABHD6ESR2
SCHEMBL12177841 0.76 HDAC1 (0.57) MTORPIK3CAHDAC1ESR2NR1H2
SCHEMBL2809581 0.76 ABHD6 (0.67) MTORPIK3CAHDAC1ABHD6ESR2
SCHEMBL4229966 0.75 USP2 (0.54) MTORPIK3CAHDAC1ABHD6ESR2
SCHEMBL23253873 0.74 HDAC1 (0.55) MTORPIK3CAHDAC1ESR2NR1H2
SCHEMBL3328949 0.74 HDAC1 (0.44) MTORPIK3CAHDAC1ABHD6ESR2
SCHEMBL25669120 0.73 PIK3CA (0.49) MTORPIK3CAHDAC1ABHD6ESR2
SCHEMBL30368214 0.73 PIK3CA (0.49) MTORPIK3CAHDAC1ABHD6ESR2

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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS MTOR 4015/4885PIK3CA 3569/4885HDAC1 2972/4885

“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.