SCHEMBL2198779

SCHEMBL2198779

CC1CC(N2CCCC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL24700170 0.99 HPGD (0.43) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL24700395 0.99 HPGD (0.43) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL5522877 0.99 HPGD (0.43) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL25124432 0.88 HSD17B10 (0.38) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL21275149 0.87 USP2 (0.48) PREPCHRM2CHRM1CHRM3HSD17B10
SCHEMBL28692954 0.87 USP2 (0.48) PREPCHRM2CHRM1CHRM3HSD17B10
SCHEMBL27855463 0.87 CHRM2 (0.39) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL27834792 0.86 CHRM2 (0.38) PREPCHRM2CHRM1CHRM3HSD17B10
SCHEMBL31482240 0.86 CHRM2 (0.36) PREPCHRM2CHRM1CHRM3HPGD
Acetone SCHEMBL27979498 0.85 CHRM2 (0.38) PREPCHRM2CHRM1CHRM3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PREP 2561/4885CHRM2 266/4885CHRM1 308/4885

“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.

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