SCHEMBL16429280

SCHEMBL16429280

CCN1CCCC1c1cc(F)cc(CCN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL4296167 0.87 L3MBTL3 (0.42) L3MBTL3SIGMAR1SLC6A3
SCHEMBL16426170 0.85 L3MBTL3 (0.39) L3MBTL3SIGMAR1HRH3JAK2NTRK1
SCHEMBL4102162 0.83 L3MBTL3 (0.39) L3MBTL3SIGMAR1HRH3JAK2NTRK1
SCHEMBL4293207 0.81 JAK2 (0.53) SIGMAR1HRH3JAK2NTRK1SLC6A4
SCHEMBL12943769 0.74 SIGMAR1 (0.39) L3MBTL3SIGMAR1HRH3SLC6A3CNR2
SCHEMBL20340606 0.72 KDM4E (0.38) DRD2
SCHEMBL15906057 0.72 SIGMAR1 (0.49) SIGMAR1HRH3SLC6A3
SCHEMBL16474295 0.69 RIPK1 (0.34) DRD2
SCHEMBL4106130 0.69 SIGMAR1 (0.46) SIGMAR1SLC6A3CNR2KCNH2
SCHEMBL19275745 0.68 RIPK1 (0.58) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 — — 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-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK L3MBTL3 1833/4885SIGMAR1 1254/4885HRH3 1034/4885

“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.

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