SCHEMBL4889834

SCHEMBL4889834

Nc1ccc(CCN2CCC[C@@H]2CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 9/20 0.67
SPHK1 Q9NYA1 9/20 0.67
HRH3 Q9Y5N1 4/20 0.52
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL4889839 1.00 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL8879669 0.85 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL15921347 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL15921348 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL12156622 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL3197717 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL3562460 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL27627908 0.84 SPHK2 (0.66) SPHK2SPHK1HRH3
SCHEMBL4804878 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL4804888 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1

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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK SPHK2 1171/4885SPHK1 982/4885HRH3 1544/4885

“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.