SCHEMBL4513549

SCHEMBL4513549

CN(C(=O)c1ccccc1)c1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
NPY2R P49146 1/20 0.34
MLNR O43193 1/20 0.33
BRD4 O60885 1/20 0.33
P2RX7 Q99572 1/20 0.33
OPRM1 P35372 3/20 0.33
ARRB1 P49407 3/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
INSR P06213 1/20 0.32
TXK P42681 1/20 0.32
ITK Q08881 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
SCHEMBL5548215 0.87 HSD11B1 (0.40) HSD11B1CHRM2CHRM3NPY2RP2RX7
SCHEMBL4514423 0.83 CHRM1 (0.43) HSD11B1CHRM2NPY2RALDH1A1
SCHEMBL13674554 0.83 MAPT (0.40) HSD11B1SMN1; SMN2
SCHEMBL4514859 0.83 MAPT (0.40) HSD11B1SMN1; SMN2
SCHEMBL4517169 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL13675469 0.81 HSD11B1 (0.40) HSD11B1CHRM2CHRM3NPY2RP2RX7
SCHEMBL3001590 0.80 P2RX7 (0.42) HSD11B1P2RX7CCR3
SCHEMBL3001594 0.80 P2RX7 (0.42) HSD11B1P2RX7CCR3
SCHEMBL13674486 0.80 P2RX7 (0.42) HSD11B1P2RX7CCR3
SCHEMBL3001587 0.80 P2RX7 (0.42) HSD11B1P2RX7CCR3

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 3 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
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 1/4885CHRM2 4453/4885CHRM3 4537/4885

“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.