SCHEMBL7175345

SCHEMBL7175345

CC(C)(C)OC(=O)N1CCC(Sc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 1/20 0.43
SCD5 Q86SK9 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL8441644 0.88 GPR119 (0.49) GPR119TSHRALOX15ATMTACR1
SCHEMBL2950605 0.82 GPR119 (0.46) GPR119TSHRALOX15ATMCHRM2
SCHEMBL2952664 0.81 OPRD1 (0.47) GPR119TSHRALOX15ATMCHRM2
SCHEMBL972474 0.77 TSHR (0.65) GPR119TSHRALOX15ATMTACR1
SCHEMBL21077865 0.76 GPR119 (0.45) GPR119TSHRALOX15ATMTACR1
SCHEMBL17269931 0.76 GPR119 (0.50) GPR119TSHRALOX15ATMCHRM2
SCHEMBL3246933 0.75 TSHR (0.57) GPR119TSHRALOX15ATMCHRM2
SCHEMBL240381 0.75 TSHR (0.57) GPR119TSHRALOX15ATMCHRM4
SCHEMBL7839284 0.75 GPR119 (0.46) GPR119TSHRALOX15TACR1KDM4E
SCHEMBL8202394 0.75 KDM4E (0.50) GPR119TSHRALOX15ATMCHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579889-B2 Alzheier's diseases; antiallergens; vision defects; antihistamines; skin disorders MERCK & CO., INC. 2003-06-17 US disclosed
US-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2002-02-14 US 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-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion VCAM1, ICAM1, CD4 GPR119 249/4885TSHR 3886/4885ALOX15 265/4885

“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.