SCHEMBL5597041

SCHEMBL5597041

c1cc2c3c(cncc3c1)CCN2C1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
C5AR1 P21730 6/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
HPGD P15428 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
IDO1 P14902 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5596988 0.82 STAT3 (0.32) GRIN1GRIN2BSMN1; SMN2
SCHEMBL5596755 0.81 NOTUM (0.32) C5AR1GRIN1GRIN2BALDH1A1CYP11B1
SCHEMBL5596784 0.80 C5AR1 (0.38) PARP1C5AR1GRIN1GRIN2BALDH1A1
SCHEMBL5596688 0.80 PARP1 (0.37) PARP1C5AR1GRIN1GRIN2BALDH1A1
SCHEMBL5596386 0.80 PARP1 (0.32) PARP1GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL5597254 0.80 PARP1 (0.33) PARP1GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL5597142 0.80 PARP1 (0.32) PARP1GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL5597062 0.80 SCN9A (0.38) CYP11B1CYP11B2GPBAR1OPRM1OPRD1
SCHEMBL5421579 0.80 GPBAR1 (0.36) CYP11B1CYP11B2GPBAR1OPRM1OPRD1
SCHEMBL5410387 0.80 HTR2C (0.47) GPBAR1

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 PARP1 2408/4885C5AR1 340/4885GRIN1 798/4885

“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.