SCHEMBL5596784

SCHEMBL5596784

Cc1ncc2c3c(cccc13)N(C1CCC3(CC1)OCCO3)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 7/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SCD O00767 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL5596688 0.89 PARP1 (0.37) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596986 0.88 C5AR1 (0.39) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596836 0.88 GRIN1 (0.35) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596938 0.85 C5AR1 (0.34) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596662 0.83 GAA (0.40) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596625 0.82 C5AR1 (0.35) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5597208 0.81 OPRM1 (0.37) SCDOPRM1OPRD1OPRK1OPRL1
SCHEMBL5596722 0.81 SCN9A (0.41) SCDOPRM1OPRD1OPRK1OPRL1
SCHEMBL5597041 0.80 PARP1 (0.36) C5AR1GRIN1GRIN2BPARP1ALDH1A1
SCHEMBL5596386 0.76 PARP1 (0.32) GRIN1GRIN2BPARP1ALDH1A1SMN1; SMN2

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 C5AR1 340/4885GRIN1 798/4885GRIN2B 2364/4885

“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.