SCHEMBL5543772

SCHEMBL5543772

O=C1C(Cc2ccc(-c3ccccn3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
ROCK2 O75116 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CCR5 P51681 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
CNR2 P34972 1/20 0.37
P2RX7 Q99572 3/20 0.37
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DAGLB Q8NCG7 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL3547892 0.90 HSD11B1 (0.52) HSD11B1ROCK2HCRTR1HCRTR2CCR5
Hydrochloric Acid SCHEMBL3882886 0.89 HSD11B1 (0.51) HSD11B1ROCK2HCRTR1HCRTR2CCR5
SCHEMBL3547274 0.87 HSD11B1 (0.45) HSD11B1ROCK2P2RX7
SCHEMBL2998480 0.87 HSD11B1 (0.47) HSD11B1ROCK2CCR5P2RX7
SCHEMBL3554331 0.85 HSD11B1 (0.60) HSD11B1ROCK2CCR5
SCHEMBL13955154 0.84 HSD11B1 (0.46) HSD11B1ROCK2CCR5CNR2P2RX7
SCHEMBL3549083 0.84 HSD11B1 (0.47) HSD11B1ROCK2CCR5PDE4DCNR2
SCHEMBL2992290 0.83 HSD11B1 (0.46) HSD11B1ROCK2CCR5P2RX7NPC1
SCHEMBL3548235 0.83 HSD11B1 (0.49) HSD11B1ROCK2CCR5CNR2HTR6
Hydrochloric Acid SCHEMBL3880475 0.82 HSD11B1 (0.48) HSD11B1ROCK2CCR5CNR2HTR6

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 1/4885ROCK2 2463/4885HCRTR1 931/4885

“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.