SCHEMBL4775441

SCHEMBL4775441

CN(C)c1cc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41
HPGDS O60760 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1F P30939 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTT P42858 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL5749634 0.87 HTR1D (0.42) GPR119KDM4EMAPTJAK1JAK2
SCHEMBL24377767 0.86 KDM4E (0.47) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL16610331 0.86 KDM4E (0.47) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL4771288 0.81 GPR119 (0.47) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL4767261 0.79 GPR119 (0.53) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL12327686 0.77 GPR119 (0.53) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL4882143 0.77 DRD2 (0.56) KDM4EMAPTTHRBBRD4ALDH1A1
SCHEMBL4771971 0.77 AVPR1A (0.50) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL31001677 0.77 GPR119 (0.53) GPR119KDM4EMAPTTHRBJAK1
SCHEMBL12127425 0.77 KDM4E (0.49) GPR119KDM4EMAPTTHRBJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP claimed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP disclosed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 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-6951851-B2 Substituted pyrazoles CAI HUI 2005-10-04 US disclosed
US-6949540-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-09-27 US disclosed
US-6936603-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-30 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 (5 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 GPR119 2768/4885KDM4E 2928/4885MAPT 3187/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GPR119 2768/4885KDM4E 2928/4885MAPT 3187/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GPR119 2768/4885KDM4E 2928/4885MAPT 3187/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GPR119 4518/4885KDM4E 2491/4885MAPT 3021/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GPR119 2768/4885KDM4E 2928/4885MAPT 3187/4885

“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.