Sugi Predict

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SCHEMBL3715280

SCHEMBL3715280

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.55
▸ HTR6 P50406 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ JAK1 P23458 1/20 0.50
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ GABRA4 P48169 1/20 0.49
▸ GABRE P78334 1/20 0.49
▸ GABRA6 Q16445 1/20 0.49
▸ GABRG1 Q8N1C3 1/20 0.49
▸ GABRG3 Q99928 1/20 0.49
▸ GABRQ Q9UN88 1/20 0.49

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
SCHEMBL3715657 0.89 PDK4 (0.56) PDK4HTR6CNR1JAK1GABRP
SCHEMBL6381564 0.88 PDK4 (0.55) PDK4HTR6CNR1JAK1GABRP
SCHEMBL6385405 0.88 PDK4 (0.55) PDK4HTR6CNR1JAK1GABRP
SCHEMBL16801563 0.85 MAPT (0.50) HTR6MAPTLMNA
SCHEMBL27758573 0.84 MAPT (0.48) HTR6MAPTLMNA
SCHEMBL7916133 0.83 MAPT (0.60) PDK4HTR6GABRPGABRDGABRA1
SCHEMBL31285862 0.83 MAPT (0.60) PDK4HTR6GABRPGABRDGABRA1
SCHEMBL30135250 0.81 PDK4 (0.68) PDK4HTR6CNR1JAK1DGAT2
SCHEMBL2882861 0.81 PDK4 (0.68) PDK4HTR6CNR1JAK1DGAT2
SCHEMBL7440918 0.80 MAPT (0.46) JAK1MAPTLMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211618-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-08-04 — — EP disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 — — WO disclosed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 — — EP disclosed
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 — — EP disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 — — US disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 — — US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 — — WO disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 — — EP disclosed
EP-1309592-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-04-26 — — EP disclosed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 — — US disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 — — US disclosed
US-20030225062-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 — — US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 — — US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 — — US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 — — US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014317-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 (6 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-20030225062-A1 Substituted pyrazoles CTSS, CTSZ, CTSV PDK4 1854/4885HTR6 4705/4885CNR1 2781/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV PDK4 1854/4885HTR6 4705/4885CNR1 2781/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV PDK4 1854/4885HTR6 4705/4885CNR1 2781/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 PDK4 2101/4885HTR6 1434/4885CNR1 1796/4885
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 PDK4 1325/4885HTR6 139/4885CNR1 10/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV PDK4 1854/4885HTR6 4705/4885CNR1 2781/4885

“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.