SCHEMBL5597028

SCHEMBL5597028

O=C(O)CCCCNC1CCC(N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD3 P35462 3/20 0.35
NR1I2 O75469 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HCK P08631 1/20 0.34
FLT3 P36888 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
TBXAS1 P24557 5/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PTGIS Q16647 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5416466 0.94 HCK (0.38) HTR2CHCKFLT3ITGB3ITGA2B
SCHEMBL5412835 0.89 KDM4E (0.31) KDM4EGRIN2B
SCHEMBL5596613 0.88 KDM4E (0.30) KDM4E
SCHEMBL5596841 0.88 NOS1 (0.31) HTR2CSLC6A3DRD3OPRM1OPRD1
SCHEMBL5416000 0.86 NOS1 (0.31) HTR2CSLC6A3DRD3OPRM1OPRD1
SCHEMBL5416454 0.86 SCD (0.31) OPRM1OPRD1
SCHEMBL5596816 0.86 OPRM1 (0.30) OPRM1OPRD1
SCHEMBL5930902 0.85
SCHEMBL5597246 0.85 CCR3 (0.37) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL5596968 0.84 HTR2C (0.39) HTR2CSLC6A3DRD3NR1I2OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A HTR2C 1430/4885SLC6A3 1439/4885DRD3 1028/4885

“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.