SCHEMBL4514748

SCHEMBL4514748

O=C1C(Cc2ccc(Br)cc2)CCN1C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.74
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
TSHR P16473 1/20 0.38
FPR2 P25090 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4697246 0.87 HSD11B1 (0.61) HSD11B1POLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL3548392 0.87 HSD11B1 (0.76) HSD11B1CES2ALDH1A1MCOLN3KMT2A
SCHEMBL3548948 0.86 HSD11B1 (0.74) HSD11B1TSHRLMNA
SCHEMBL14365000 0.86 HSD11B1 (0.74) HSD11B1CES2SMN1; SMN2ALDH1A1MCOLN3
SCHEMBL2986964 0.85 HSD11B1 (1.00) HSD11B1CES2SMN1; SMN2ALDH1A1MCOLN3
SCHEMBL3542808 0.83 HSD11B1 (0.84) HSD11B1CES2SMN1; SMN2ALDH1A1MCOLN3
SCHEMBL4506529 0.83 HSD11B1 (0.74) HSD11B1ALDH1A1KMT2A
SCHEMBL4513154 0.82 HSD11B1 (0.69) HSD11B1POLBCES2SMN1; SMN2HPGD
SCHEMBL4517638 0.82 HSD11B1 (0.73) HSD11B1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3554688 0.82 HSD11B1 (0.69) HSD11B1POLBTSHRSMN1; SMN2ALDH1A1

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 1/4885POLB 2628/4885CES2 476/4885

“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.