Sugi Predict

Sugi Predict / Compounds / SCHEMBL493690

SCHEMBL493690

SCHEMBL493690

CN(C)C(c1ccc(F)cc1)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.38
▸ CHRM1 P11229 5/20 0.38
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ CACNA1B Q00975 2/20 0.37
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ SLC6A3 Q01959 5/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL1326522 0.83 SLC6A4 (0.38) AOC3CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL1327427 0.83 BCL2A1 (0.43) AOC3CHRM1SLC6A2SLC6A4MAOB
SCHEMBL3590453 0.83 SLC6A4 (0.40) AOC3CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL493016 0.83 OPRL1 (0.42) AOC3SLC6A4MAOBSLC6A3HRH1
SCHEMBL493315 0.83 AOC3 (0.37) AOC3CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL492779 0.81 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL1327257 0.80 AOC3 (0.36) AOC3CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL644291 0.80 LMNA (0.40) AOC3KCNH2
SCHEMBL493325 0.80 CHRM1 (0.35) AOC3CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL1326885 0.80 AOC3 (0.37) AOC3CHRM1SLC6A2SLC6A4SLC6A3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 — — CN claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US claimed
JP-2009520720-A — — 2009-05-28 — — JP claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 — — CN claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 — — EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 — — WO claimed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 — — CN disclosed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 — — US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 — — EP disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 — — US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 — — EP disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — WO disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — WO disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 — — 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 (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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD AOC3 3638/4885CHRM1 2330/4885SLC6A2 2372/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R AOC3 2137/4885CHRM1 8/4885SLC6A2 1980/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A AOC3 4794/4885CHRM1 4248/4885SLC6A2 873/4885

“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.