SCHEMBL5779223

SCHEMBL5779223

O=C(O)N1C[C@H]2C[C@@H]1CO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
CNR2 P34972 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
LRRK2 Q5S007 2/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
PDE7B Q9NP56 1/20 0.31
SCN9A Q15858 2/20 0.30
PIK3CD O00329 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL4103692 1.00 HTR2C (0.38) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL15399575 1.00 HTR2C (0.38) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL5045861 1.00 HTR2C (0.38) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL16751015 0.82 HTR2C (0.37) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL5493081 0.82 VNN1 (0.39)
SCHEMBL18478944 0.82 HTR2C (0.37) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL14040599 0.82 HTR2C (0.37) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL13379873 0.82 HTR2C (0.37) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL16750117 0.77 PIK3CD (0.42) HTR2CCNR2JAK2JAK1LRRK2
SCHEMBL22802654 0.77 CHRNB2 (0.38) HTR2CCNR2JAK2JAK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 HTR2C 296/4885CNR2 16/4885JAK2 3898/4885

“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.