SCHEMBL5597010

SCHEMBL5597010

Nc1ccc2cncc3c2c1N(C1CCNC1)CC3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.39
HTR2B P41595 14/20 0.39
HTR2A P28223 7/20 0.39
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 1/20 0.34
PRKCZ Q05513 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
SCHEMBL5596572 0.93 HTR2B (0.38) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596313 0.93 HTR2C (0.37) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5418084 0.79 HTR2C (0.47) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596774 0.76
SCHEMBL5597254 0.76 PARP1 (0.33)
SCHEMBL5597030 0.76 PRKCZ (0.34) PRKCZ
SCHEMBL5597136 0.72 HTR2C (0.47) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596723 0.72 HTR2C (0.45) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5597039 0.71 FPR2 (0.41) PIK3R1PIK3CA
SCHEMBL5410387 0.71 HTR2C (0.47) HTR2CHTR2BHTR2ANOS1NOS2

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.