SCHEMBL5596795

SCHEMBL5596795

Clc1ncc2c3c(cccc13)N(C1CCNC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.44
HTR2B P41595 15/20 0.44
HTR2A P28223 7/20 0.41
DRD2 P14416 1/20 0.40
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
NOS3 P29474 1/20 0.38

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
SCHEMBL5596782 0.93 HTR2C (0.43) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5415547 0.93 HTR2C (0.44) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5418105 0.86 HTR2C (0.44) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5596727 0.81 SCN9A (0.39) HTR2CHTR2B
SCHEMBL5596820 0.81 OPRM1 (0.34) DRD2
SCHEMBL5596798 0.81 HTR2C (0.46) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5596967 0.80 HTR2C (0.43) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5596602 0.80 HTR2C (0.43) HTR2CHTR2BHTR2ADRD2NOS1
SCHEMBL5597033 0.80 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL5418022 0.79 HTR2C (0.44) HTR2CHTR2BHTR2ADRD2NOS1

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.