SCHEMBL4523992

SCHEMBL4523992

O=C1C(Cc2c(Cl)cccc2Cl)CCN1[C@@H]1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
DRD1 P21728 1/20 0.42
P2RX7 Q99572 2/20 0.40
GPR84 Q9NQS5 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 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
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL4513256 1.00 HSD11B1 (0.42) HSD11B1DRD1P2RX7GPR84KCNH2
SCHEMBL4508542 1.00 HSD11B1 (0.42) HSD11B1DRD1P2RX7GPR84KCNH2
SCHEMBL4515302 0.93 OPRM1 (0.43) HSD11B1DRD1KCNH2KDM4EKMT2A
SCHEMBL4525134 0.92 DRD1 (0.41) HSD11B1DRD1P2RX7GPR84KCNH2
SCHEMBL5541253 0.90 KDM4E (0.39) HSD11B1DRD1KDM4EKMT2AALDH1A1
SCHEMBL4504607 0.90 KDM4E (0.39) HSD11B1DRD1KDM4EKMT2AALDH1A1
SCHEMBL4525028 0.87 DCPS (0.35) HSD11B1DRD1P2RX7KCNH2KDM4E
SCHEMBL4519534 0.86 HTR1A (0.36) HSD11B1DRD1P2RX7GPR84KCNH2
SCHEMBL14365372 0.86 HSD11B1 (0.42) HSD11B1GPR84KDM4EKMT2AALDH1A1
SCHEMBL4504470 0.86 HSD11B1 (0.42) HSD11B1GPR84KDM4EKMT2AALDH1A1

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 1/4885DRD1 3030/4885P2RX7 3946/4885

“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.