SCHEMBL6785103

SCHEMBL6785103

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
STS P08842 1/20 0.44
ACHE P22303 1/20 0.44
FUCA1 P04066 2/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL18495417 0.89 CCR5 (0.52) GPR119JAK2JAK1STSAGTR2
SCHEMBL16064467 0.89 CCR5 (0.52) GPR119JAK2JAK1STSAGTR2
SCHEMBL1984795 0.87 AGTR2 (0.48) NR1H2NR1H3GPR119JAK2JAK1
SCHEMBL2381394 0.87 AGTR2 (0.48) NR1H2NR1H3GPR119JAK2JAK1
SCHEMBL1983287 0.87 AGTR2 (0.48) NR1H2NR1H3GPR119JAK2JAK1
SCHEMBL23654053 0.86 ACHE (0.43) NR1H2NR1H3S1PR1S1PR5GPR119
SCHEMBL22010803 0.86 ACHE (0.43) NR1H2NR1H3S1PR1S1PR5GPR119
SCHEMBL22605146 0.86 SLC18A3 (0.43) NR1H2NR1H3GPR119JAK2JAK1
SCHEMBL22010807 0.86 SLC18A3 (0.43) NR1H2NR1H3GPR119JAK2JAK1
SCHEMBL22010802 0.86 SLC18A3 (0.43) NR1H2NR1H3GPR119JAK2JAK1

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-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 NR1H2 229/4885NR1H3 277/4885S1PR1 2989/4885

“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.