Sugi Predict

Sugi Predict / Compounds / SCHEMBL3356760

SCHEMBL3356760

SCHEMBL3356760

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2cn[nH]c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 6/20 0.42
▸ ROCK2 O75116 12/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CDC42BPA Q5VT25 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL3352714 0.81 MLYCD (0.49) CYP2D6CYP2C9CYP1A2HSD17B10CTSD
SCHEMBL6894849 0.81 MLYCD (0.49) CYP2D6CYP2C9CYP1A2HSD17B10CTSD
SCHEMBL7055563 0.78 DHODH (0.56) CTSDBACE1MLYCDHPGDGABRA1
SCHEMBL3355469 0.76 TP53 (0.41) CTSDBACE1MLYCDHPGDGABRA1
Hydrochloric Acid SCHEMBL5377286 0.76 TLR8 (0.53) CYP2C9CYP3A4KDM4E
SCHEMBL6139506 0.75 MLYCD (0.44) CTSDBACE1MLYCDHPGDGABRA1
SCHEMBL5130313 0.75 MLYCD (0.44) CTSDBACE1MLYCDHPGDGABRA1
SCHEMBL3349246 0.74 KDM4E (0.45) HSD17B10CTSDBACE1MLYCDHPGD
SCHEMBL3304768 0.74 MLYCD (0.43) CYP2C9MLYCDHPGDGABRA1GABRB2
SCHEMBL6889939 0.73 CHEK2 (0.44) CTSDBACE1MLYCDHPGDGABRA1

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-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
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — 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 ROCK1 3374/4885ROCK2 3958/4885CYP2D6 4009/4885

“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.