SCHEMBL4522654

SCHEMBL4522654

NC(=O)CCc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.49
PDE7A Q13946 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
P2RX7 Q99572 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
JAK3 P52333 2/20 0.33
SMYD2 Q9NRG4 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4519281 0.91 HSD11B1 (0.53) HSD11B1LIPGP2RX7HRH3SIGMAR1
SCHEMBL4510247 0.88 HSD11B1 (0.47) HSD11B1ALDH1A1KMT2A
SCHEMBL4515140 0.85 HSD11B1 (0.45) HSD11B1LIPGP2RX7HRH3ALDH1A1
SCHEMBL4518301 0.85 HSD11B1 (0.51) HSD11B1LIPGP2RX7HRH3SIGMAR1
SCHEMBL13675546 0.85 HSD11B1 (0.55) HSD11B1P2RX7HRH3TP53LMNA
SCHEMBL13674557 0.85 HSD11B1 (0.44) HSD11B1P2RX7ALDH1A1KMT2A
SCHEMBL4516723 0.84 HSD11B1 (0.51) HSD11B1LMNAALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4517646 0.84 HSD11B1 (0.43) HSD11B1P2RX7HRH3ALDH1A1KMT2A
SCHEMBL4513991 0.81 TP53 (0.42) HSD11B1TP53ALDH1A1KMT2A
SCHEMBL4512444 0.80 HSD11B1 (0.54) HSD11B1P2RX7SIGMAR1LMNAALDH1A1

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 1/4885PDE7A 1218/4885LIPG 128/4885

“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.