SCHEMBL4512404

SCHEMBL4512404

O=C1CCC(N2CCN(Cc3ccc(Cl)cc3Cl)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.45
EPHX2 P34913 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
FADS1 O60427 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL4507396 0.82 P2RX7 (0.44) P2RX7EPHX2GPBAR1ALDH1A1MAPT
SCHEMBL4517466 0.82 TSHR (0.42) P2RX7EPHX2SIGMAR1ALDH1A1MAPT
SCHEMBL4510049 0.78 LMNA (0.40) P2RX7SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4504130 0.76 P2RX7 (0.42) P2RX7EPHX2ALDH1A1MAPTKDM4E
SCHEMBL4504135 0.76 P2RX7 (0.42) P2RX7EPHX2ALDH1A1MAPTKDM4E
SCHEMBL14365365 0.76 P2RX7 (0.42) P2RX7EPHX2ALDH1A1MAPTKDM4E
SCHEMBL2208659 0.75 HSD11B1 (0.43) P2RX7EPHX2GPBAR1
SCHEMBL4516335 0.74 BTK (0.51) P2RX7ALDH1A1MAPTKDM4EMEN1
SCHEMBL4503472 0.74 P2RX7 (0.45) P2RX7ALDH1A1MAPTKDM4EMEN1
SCHEMBL30798198 0.70 KMT2A (0.57) P2RX7EPHX2SIGMAR1ALDH1A1MAPT

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 5 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
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 P2RX7 3946/4885EPHX2 670/4885SIGMAR1 2409/4885

“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.