SCHEMBL4514699

SCHEMBL4514699

CC1(O)CCC(N2CCC(Cc3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
MCHR1 Q99705 10/20 0.41
IDH1 O75874 2/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 1/20 0.38
HTR2B P41595 1/20 0.38
P2RY14 Q15391 1/20 0.37

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
SCHEMBL4515494 0.92 HPGD (0.43) MCHR1MAPTGAAALDH1A1LMNA
SCHEMBL4500860 0.90 ALDH1A1 (0.39) MCHR1IDH1GAAALDH1A1SMN1; SMN2
SCHEMBL4502903 0.88 MAPT (0.38) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL4511135 0.85 ATF4 (0.47) MCHR1MAPTGAAALDH1A1LMNA
SCHEMBL4509399 0.84 MCL1 (0.39) GAAALDH1A1
SCHEMBL13674555 0.84 CXCR3 (0.42) MAPT
SCHEMBL5547214 0.84 CXCR3 (0.42) MAPT
SCHEMBL13674510 0.84 ALDH1A1 (0.38) MAPTGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4504293 0.83 ALDH1A1 (0.41) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4512718 0.83 ALDH1A1 (0.36) GAAALDH1A1

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-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
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 MDH1 511/4885MDH2 410/4885MCHR1 2133/4885

“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.