Sugi Predict

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SCHEMBL3248189

SCHEMBL3248189

CC(C)(C)OC(=O)N1CC(N)CC1C(C)(C)O[SiH2]C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL4274094 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL3243618 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL7849200 0.80 SIGMAR1 (0.32) —
SCHEMBL20135097 0.80 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL3245499 0.79 HSD11B1 (0.33) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL15988125 0.77 CHRM2 (0.38) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL584822 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL585463 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL1268131 0.73 MMP2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL13495901 0.73 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 — — EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 — — EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 — — US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 — — US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 — — US disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 — — US disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 — — 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA NR1H2 1322/4885CHRM2 2573/4885CHRM1 2170/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA NR1H2 1378/4885CHRM2 2484/4885CHRM1 1759/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA NR1H2 1378/4885CHRM2 2484/4885CHRM1 1759/4885

“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.