SCHEMBL4525978

SCHEMBL4525978

CC(=O)N(C)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
P2RX7 Q99572 5/20 0.37
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLQ O75417 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
OPRK1 P41145 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLNR O43193 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4507389 0.92 HSD11B1 (0.49) HSD11B1P2RX7KMT2ASIGMAR1POLQ
SCHEMBL4509889 0.88 HSD11B1 (0.51) HSD11B1P2RX7KMT2ASIGMAR1SMN1; SMN2
SCHEMBL13674425 0.87 HSD11B1 (0.42) HSD11B1P2RX7KMT2ASIGMAR1POLQ
SCHEMBL4507303 0.85 HSD11B1 (0.46) HSD11B1P2RX7KMT2ASIGMAR1SMN1; SMN2
SCHEMBL4526071 0.82 HSD11B1 (0.47) HSD11B1P2RX7KMT2AALDH1A1LMNA
SCHEMBL4515881 0.81 HSD11B1 (0.57) HSD11B1KMT2AL3MBTL1ALDH1A1
SCHEMBL4512444 0.80 HSD11B1 (0.54) HSD11B1P2RX7SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL4509610 0.80 ALDH1A1 (0.36) HSD11B1KMT2APOLQSMN1; SMN2OPRK1
SCHEMBL2991795 0.80 HSD11B1 (0.56) HSD11B1P2RX7SIGMAR1
SCHEMBL3000826 0.80 HSD11B1 (0.56) HSD11B1P2RX7SIGMAR1

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 HSD11B1 1/4885P2RX7 3946/4885KMT2A 2379/4885

“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.