SCHEMBL5596331

SCHEMBL5596331

c1cc2c3c(cncc3c1)CCN2CC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.37
PARP1 P09874 1/20 0.35
NOTUM Q6P988 1/20 0.35
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CXCR4 P61073 2/20 0.33
CDK9 P50750 1/20 0.32
PIM1 P11309 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
SCHEMBL5596416 0.86 NOTUM (0.37) HTR6DRD2NOTUMTAAR1
SCHEMBL5596733 0.86 NOTUM (0.35) DRD2NOTUMTAAR1
SCHEMBL5597035 0.81 NOTUM (0.34) HTR6DRD2NOTUMCDK9PIM1
SCHEMBL5596755 0.81 NOTUM (0.32) NOTUM
SCHEMBL5597030 0.79 PRKCZ (0.34) ROCK2ROCK1HTR6DRD2PARP1
SCHEMBL5596844 0.79 NOTUM (0.36) HTR6DRD2PARP1NOTUMCDK9
SCHEMBL5410387 0.79 HTR2C (0.47) ROCK2ROCK1HTR6DRD2
SCHEMBL5596700 0.79 GRIN2B (0.41) ROCK2ROCK1CXCR4
SCHEMBL5596996 0.78 HTR6 (0.36) HTR6DRD2PARP1NOTUMPRKD3
SCHEMBL5596620 0.78 DRD2 (0.39) HTR6DRD2PARP1NOTUMPRKD3

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 ROCK2 255/4885ROCK1 29/4885HTR6 1910/4885

“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.