SCHEMBL3328949

SCHEMBL3328949

CC(Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C1CNCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NAMPT P43490 3/20 0.40
ESR2 Q92731 1/20 0.39
PTPN1 P18031 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR1H2 P55055 1/20 0.39
ROCK2 O75116 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IGF1R P08069 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
SLC6A2 P23975 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
SCHEMBL11929934 0.78 HDAC1 (0.54) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL3320220 0.75 SLC6A2 (0.34) SLC6A2SLC6A4
SCHEMBL3328948 0.74 MTOR (0.55) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL4247895 0.72 PDK2 (0.52) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL2335192 0.72 HDAC1 (0.42) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL12177841 0.72 HDAC1 (0.57) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL5870658 0.70 SLC6A2 (0.45) MAPK1ALDH1A1SLC6A2SLC6A4
SCHEMBL28352385 0.70 USP2 (0.36) DDB1CRBNESR2NPC1RAB9A
SCHEMBL23253873 0.70 HDAC1 (0.55) HDAC1PIK3CAMTORDDB1CRBN
SCHEMBL18423515 0.69 PTPN1 (0.55) HDAC1PIK3CAMTORDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216321-A Therapeutic antiviral peptides INTERMUNE INC 2011-10-12 CN disclosed
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 HDAC1 2972/4885PIK3CA 3569/4885MTOR 4015/4885

“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.