SCHEMBL5596718

SCHEMBL5596718

Clc1ncc2cccc3c2c1CCN3C1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.39
PARP1 P09874 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL5596483 0.82 C5AR1 (0.35) C5AR1
SCHEMBL5596310 0.81 HTR2C (0.41)
SCHEMBL5596687 0.81
SCHEMBL5596986 0.81 C5AR1 (0.39) C5AR1PARP1GRIN1GRIN2B
SCHEMBL5597041 0.79 PARP1 (0.36) C5AR1PARP1GRIN1GRIN2B
SCHEMBL5597226 0.78 PTPN11 (0.36)
SCHEMBL5597033 0.77 HTR2C (0.44)
SCHEMBL5596688 0.75 PARP1 (0.37) C5AR1PARP1GRIN1GRIN2B
SCHEMBL5596427 0.75 HTR2C (0.46)
SCHEMBL31134547 0.74 PARP1 (0.38) C5AR1PARP1GRIN1GRIN2B

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 340/4885PARP1 2408/4885GRIN1 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.