SCHEMBL3596980

SCHEMBL3596980

CC(C)(C)OC(=O)C1CNCC2C(=O)N(c3cccc(S(C)(=O)=O)c3)CN12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.46
NR1H3 Q13133 13/20 0.46
GPR119 Q8TDV5 1/20 0.46
NAAA Q02083 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
RXRA P19793 1/20 0.36
GRM2 Q14416 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL3605596 0.88 ALDH1A1 (0.37)
SCHEMBL3607136 0.88 GPR119 (0.42) NR1H2NR1H3GPR119CASP3
SCHEMBL3606120 0.87 POLB (0.37)
SCHEMBL3597127 0.87 DDB1 (0.34) NR1H2NR1H3GPR119GRM2CASP3
SCHEMBL3601055 0.87 GPR119 (0.41) NR1H2NR1H3GPR119
SCHEMBL3606731 0.87 OPRM1 (0.38) NR1H2NR1H3GPR119OPRM1GRM2
SCHEMBL3601852 0.86 MAPT (0.40)
SCHEMBL3609983 0.86 ALDH1A1 (0.36) NR1H2NR1H3
SCHEMBL3604816 0.85 GPR119 (0.36) NR1H2NR1H3GPR119CASP3
SCHEMBL3607457 0.85 USP30 (0.44) NR1H2NR1H3RXRA

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-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A NR1H2 1861/4885NR1H3 2124/4885GPR119 268/4885

“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.