SCHEMBL8239573

SCHEMBL8239573

CN(C)[C@@H](Cc1ccccc1)C(=O)CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
MAOB P27338 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 5/20 0.42
CTSB P07858 3/20 0.42
MME P08473 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
UBE2N P61088 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL15867239 0.88 MAOB (0.44) ALDH1A1MAPTMAOBMEN1KMT2A
SCHEMBL7766679 0.83 MCL1 (0.43) ALDH1A1MAOBMEN1KMT2AMCL1
SCHEMBL13536393 0.83 MCL1 (0.43) ALDH1A1MAOBMEN1KMT2AMCL1
SCHEMBL2059348 0.83 MCL1 (0.43) ALDH1A1MAOBMEN1KMT2AMCL1
SCHEMBL8572288 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10150925 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19287545 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL27539959 0.79 HPGD (0.49) MAOBMEN1KMT2AMCL1CTSS
SCHEMBL121728 0.78 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL121727 0.78 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 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 (2 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 ALDH1A1 1209/4885MAPT 1745/4885MAOB 1210/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885MAPT 2176/4885MAOB 824/4885

“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.