SCHEMBL4526129

SCHEMBL4526129

CCN(CC)C(=O)COc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL4510855 0.90 ALDH1A1 (0.39) SIGMAR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4519067 0.88 HSD11B1 (0.50) SIGMAR1HSD11B1TSHRHSD17B10
SCHEMBL13674464 0.86 HSD11B1 (0.44) SIGMAR1HSD11B1SMN1; SMN2NPC1RAB9A
SCHEMBL4517793 0.82 HSD11B1 (0.52) HSD11B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4528181 0.82 PRMT5 (0.38) SIGMAR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4519244 0.82 HSD11B1 (0.47) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL4525800 0.82 HSD11B1 (0.47) HSD11B1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13675458 0.81 HSD11B1 (0.45) HSD11B1KDM4ELMNATSHRHPGD
SCHEMBL4521181 0.81 HSD11B1 (0.46) HSD11B1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4514386 0.81 HSD11B1 (0.46) HSD11B1NPC1RAB9AKDM4ELMNA

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 SIGMAR1 2409/4885HSD11B1 1/4885SMN1; SMN2 4487/4885

“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.