Sugi Predict

Sugi Predict / Compounds / SCHEMBL4715434

SCHEMBL4715434

SCHEMBL4715434

CC(C)(C)OC(=O)N1CCC(N2C(=O)Cc3cc(Cl)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.47
▸ STS P08842 3/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ CTSD P07339 1/20 0.44
▸ CTSE P14091 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MDM2 Q00987 1/20 0.42

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
SCHEMBL4717139 0.90 NOTUM (0.52) NOTUMSTSCNR1CNR2FNTA
SCHEMBL10063133 0.88 GPR119 (0.49) MEN1KMT2AHSD11B1CTSDCTSE
SCHEMBL4713768 0.87 MEN1 (0.45) STSCNR1CNR2MEN1KMT2A
SCHEMBL10063529 0.87 FPR2 (0.47) HSD11B1CTSDCTSEBACE1MAPT
SCHEMBL29809117 0.87 FPR2 (0.47) HSD11B1CTSDCTSEBACE1MAPT
SCHEMBL27219001 0.87 NOTUM (0.48) NOTUMSTSCNR1CNR2MEN1
SCHEMBL26915965 0.87 NOTUM (0.48) NOTUMSTSCNR1CNR2MEN1
SCHEMBL3411142 0.84 OXTR (0.46) —
SCHEMBL2606281 0.84 KCNH2 (0.58) HSD11B1KCNH2
SCHEMBL10063528 0.81 CHRM2 (0.54) MEN1KMT2AHSD11B1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 — — CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 — — US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 — — EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 — — US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 — — WO disclosed
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 — — EP disclosed
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 — — US disclosed
EP-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 — — EP disclosed
US-6953793-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-11 — — US disclosed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 — — US disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 — — US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 — — US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 — — US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 — — US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — 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 (8 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV NOTUM 1380/4885STS 248/4885CNR1 2781/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NOTUM 2990/4885STS 4560/4885CNR1 9/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NOTUM 2990/4885STS 4560/4885CNR1 9/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885STS 848/4885CNR1 1665/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885STS 848/4885CNR1 1665/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885STS 848/4885CNR1 1665/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A NOTUM 2826/4885STS 4210/4885CNR1 29/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ NOTUM 968/4885STS 302/4885CNR1 2474/4885

“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.