Sugi Predict

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SCHEMBL7572938

SCHEMBL7572938

CC(=O)N1CCC(CN2C(=N)NC(C)(c3cccc(-c4ccccc4Oc4ccccc4)c3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ CTSD P07339 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FASN P49327 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CCR3 P51677 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
SCHEMBL7551495 0.87 BACE1 (0.43) BACE1CTSDKMT2AHTTFASN
SCHEMBL7544582 0.86 BACE1 (0.50) BACE1CTSDCYP3A4CYP2C19CCR3
SCHEMBL8210950 0.85 SCN9A (0.36) SCN9ABACE1CTSDBTKKMT2A
SCHEMBL7562971 0.85 BACE1 (0.41) BACE1CTSDKMT2AFASN
SCHEMBL7553079 0.84 HTT (0.47) KMT2AHTTPOLBALDH1A1
SCHEMBL7537950 0.83 BACE1 (0.42) BACE1CTSDKMT2AHTTFASN
SCHEMBL2969011 0.83 BACE1 (0.42) BACE1CTSDKMT2AHTTFASN
SCHEMBL7539499 0.83 BACE1 (0.40) SCN9ABACE1CTSD
SCHEMBL7540385 0.83 BACE1 (0.41) BACE1CTSDCYP3A4CYP2C19FASN
SCHEMBL7540296 0.83 BACE1 (0.42) BACE1CTSDKMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — 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 (3 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 SCN9A 3778/4885BACE1 8/4885CTSD 13/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D SCN9A 4261/4885BACE1 1/4885CTSD 8/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D SCN9A 4261/4885BACE1 1/4885CTSD 8/4885

“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.