SCHEMBL4501764

SCHEMBL4501764

O=C(NC1(C(=O)Nc2ccc(CC3CCN(C4C5CC6CC4CC(O)(C6)C5)C3=O)c(Cl)c2)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.54
TRPV1 Q8NER1 2/20 0.35
FAAH O00519 1/20 0.35
MAPK8 P45983 2/20 0.34
CNR1 P21554 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM1 P11229 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACKR3 P25106 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
SCHEMBL4516256 0.92 HSD11B1 (0.54) HSD11B1TRPV1FAAHNPSR1MEN1
SCHEMBL4501901 0.92 HSD11B1 (0.60) HSD11B1MAPK8CNR1KMT2AEPHX2
SCHEMBL4513251 0.88 HSD11B1 (0.52) HSD11B1TRPV1FAAHMAPT
SCHEMBL4524141 0.87 HSD11B1 (0.55) HSD11B1MAPK8MEN1ALDH1A1KMT2A
SCHEMBL13674493 0.85 HSD11B1 (0.47) HSD11B1TRPV1FAAHEPHX2
SCHEMBL13674494 0.85 HSD11B1 (0.53) HSD11B1EPHX2
SCHEMBL4519595 0.85 HSD11B1 (0.52) HSD11B1EPHX2
Hydrochloric Acid SCHEMBL4507893 0.85 HSD11B1 (0.52) HSD11B1EPHX2
SCHEMBL4515134 0.84 HSD11B1 (0.63) HSD11B1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL4501204 0.83 HSD11B1 (0.56) HSD11B1ALDH1A1EPHX2NPC1

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 1/4885TRPV1 3739/4885FAAH 910/4885

“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.