SCHEMBL4505657

SCHEMBL4505657

CC1(O)CCC(N2CCC(Cc3ccc(NC(=O)C(F)(F)F)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
STS P08842 1/20 0.36
NPY2R P49146 10/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.34
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL5548898 0.90 RORC (0.39) SMN1; SMN2HSD11B1P2RX7
SCHEMBL4505621 0.88 NPY2R (0.36) NPY2RMCHR1HSD11B1P2RX7
SCHEMBL4514917 0.88 KMT2A (0.42) EPHX2SMN1; SMN2
SCHEMBL4502644 0.87 EPHX2 (0.42) EPHX2NR1H4STSNPY2RGAA
SCHEMBL4514423 0.86 CHRM1 (0.43) NPY2RHSD11B1
SCHEMBL4511065 0.85 EPHX2 (0.36) EPHX2SMN1; SMN2HSD11B1P2RX7
SCHEMBL4514431 0.84 KMT2A (0.44) NPY2RGAASMN1; SMN2MCHR1HSD11B1
SCHEMBL4507642 0.83 EPHX2 (0.41) EPHX2NR1H4GAA
SCHEMBL13674531 0.83 BMPR1B (0.38) SMN1; SMN2MCHR1
SCHEMBL4528168 0.83 BMPR1B (0.38) SMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 EPHX2 670/4885NR1H4 255/4885STS 160/4885

“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.