SCHEMBL4515258

SCHEMBL4515258

O=C1N(Cc2c(Cl)cccc2Cl)CCN1C1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
DRD1 P21728 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
P2RX7 Q99572 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
CHRNA7 P36544 1/20 0.38
AHR P35869 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4515953 0.78 CTSD (0.46) HSD11B1DRD2DRD3KCNH2P2RX7
SCHEMBL4513256 0.76 HSD11B1 (0.42) HSD11B1DRD1KCNH2P2RX7POLB
SCHEMBL4508542 0.76 HSD11B1 (0.42) HSD11B1DRD1KCNH2P2RX7POLB
SCHEMBL4523992 0.76 HSD11B1 (0.42) HSD11B1DRD1KCNH2P2RX7POLB
SCHEMBL4510049 0.76 LMNA (0.40) DRD2DRD3KCNH2P2RX7POLB
SCHEMBL4500707 0.75 LMNA (0.49) HSD11B1P2RX7POLBNPSR1CYP1A2
SCHEMBL4513935 0.74 CYP2D6 (0.53) DRD2DRD3KCNH2P2RX7POLB
SCHEMBL4525134 0.72 DRD1 (0.41) HSD11B1DRD1DRD2KCNH2P2RX7
SCHEMBL4501138 0.70 CYP2D6 (0.59) DRD2DRD3KCNH2POLBNPSR1
SCHEMBL4500988 0.70 KCNH2 (0.48) DRD2DRD3KCNH2P2RX7POLB

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 5 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
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 1/4885DRD1 3030/4885DRD2 4099/4885

“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.