SCHEMBL5596832

SCHEMBL5596832

c1cc2c3c(cncc3c1)CCN2C1CCCN(C2CCNCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2B P41595 6/20 0.40
HTR2A P28223 2/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PARP1 P09874 1/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
CYP2D6 P10635 2/20 0.33
NOS3 P29474 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL5410387 0.88 HTR2C (0.47) HTR2CHTR2BHTR2AROCK2ROCK1
SCHEMBL5596537 0.88 OPRM1 (0.33) GAAKDM2B
SCHEMBL5596912 0.88 GAA (0.34) HRH3GAAKDM2B
SCHEMBL5596530 0.85 OPRM1 (0.31) GAAKDM2B
SCHEMBL5596726 0.85 GAA (0.36) HTR2CHTR2BHTR2AROCK2ROCK1
SCHEMBL5418084 0.83 HTR2C (0.47) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596693 0.81 DRD2 (0.40) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596723 0.81 HTR2C (0.45) HTR2CHTR2BHTR2AROCK2ROCK1
SCHEMBL5596319 0.81 OPRM1 (0.35) ROCK1PARP1ADRA1AGAAKDM2B
SCHEMBL5597140 0.79 MEN1 (0.41) ROCK1GAA

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 HTR2C 1430/4885HTR2B 1795/4885HTR2A 2293/4885

“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.