SCHEMBL5597254

SCHEMBL5597254

Nc1ccc2cncc3c2c1N(C1CCC2(CC1)OCCO2)CC3

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
LGMN Q99538 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
SCHEMBL5597142 0.87 PARP1 (0.32) PARP1ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL5596868 0.82
SCHEMBL5596313 0.81 HTR2C (0.37) ALDH1A1
SCHEMBL5596774 0.80
SCHEMBL5597041 0.80 PARP1 (0.36) PARP1ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL5597010 0.76 HTR2C (0.39)
SCHEMBL5596572 0.75 HTR2B (0.38) PARP1
SCHEMBL5596988 0.74 STAT3 (0.32) SMN1; SMN2GRIN1GRIN2B
SCHEMBL5596386 0.72 PARP1 (0.32) PARP1ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL5597183 0.72

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 2408/4885ALDH1A1 3199/4885SMN1; SMN2 2149/4885

“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.