SCHEMBL15867239

SCHEMBL15867239

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 4/20 0.42
CTSL P07711 6/20 0.40
CTSB P07858 4/20 0.40
MME P08473 1/20 0.40
HPGD P15428 1/20 0.40
UBE2N P61088 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8239573 0.88 ALDH1A1 (0.51) MAOBALDH1A1MAPTMCL1CTSS
SCHEMBL13536393 0.84 MCL1 (0.43) MAOBALDH1A1MCL1CTSSCTSK
SCHEMBL7766679 0.84 MCL1 (0.43) MAOBALDH1A1MCL1CTSSCTSK
SCHEMBL2059348 0.84 MCL1 (0.43) MAOBALDH1A1MCL1CTSSCTSK
SCHEMBL27539959 0.76 HPGD (0.49) MAOBMCL1CTSSCTSKCTSL
SCHEMBL9755811 0.74 MDM2 (0.50) MCL1CTSSCTSKCTSLCTSB
SCHEMBL2437662 0.73 MAOB (0.54) MAOB
SCHEMBL9755805 0.71 CPA1 (0.62) MCL1MMECYP1A2
SCHEMBL9755803 0.71 CPA1 (0.62) MCL1MMECYP1A2
SCHEMBL9755819 0.71 ANPEP (0.49) ALDH1A1MCL1CTSSCTSKCTSL

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-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 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-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAOB 824/4885ALDH1A1 2920/4885MAPT 2176/4885

“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.