SCHEMBL3382222

SCHEMBL3382222

CCC(N)(NC(=O)O)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RIPK1 Q13546 1/20 0.41
MMP8 P22894 1/20 0.40
APAF1 O14727 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3383371 0.82 LMNA (0.44) MEN1KMT2ARIPK1MMP8POLB
SCHEMBL3386006 0.80 TSHR (0.42) KMT2ARIPK1MMP8MAPTCYP1A2
SCHEMBL5391314 0.76 MMP8 (0.38) MEN1KMT2ARIPK1MMP8POLB
SCHEMBL21632771 0.76 CYP1A2 (0.44) MEN1KMT2ARIPK1CYP1A2CYP2D6
SCHEMBL25415617 0.72 ALOX5 (0.43) MEN1KMT2ARIPK1MAPTCYP1A2
SCHEMBL585943 0.72 MEN1 (0.42) MEN1KMT2ARIPK1APAF1POLB
SCHEMBL2032641 0.71 CYP2D6 (0.50) HDAC3HDAC4HDAC1CYP1A2CYP2D6
SCHEMBL2031549 0.71 CYP2D6 (0.50) HDAC3HDAC4HDAC1CYP1A2CYP2D6
SCHEMBL7390280 0.71 CYP2D6 (0.50) HDAC3HDAC4HDAC1CYP1A2CYP2D6
SCHEMBL3726380 0.70 RIPK1 (0.44) MEN1KMT2ARIPK1MMP8APAF1

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
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP MEN1 2356/4885KMT2A 4650/4885RIPK1 2667/4885

“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.