SCHEMBL462483

SCHEMBL462483

COC(CCN1CCC(C(=O)O)C1)c1ccnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL462130 0.94 SLC6A1 (0.47)
SCHEMBL4664521 0.77 FAAH (0.55) CYP2D6LTA4HL3MBTL1
SCHEMBL4664522 0.77 FAAH (0.55) CYP2D6LTA4HL3MBTL1
SCHEMBL5004218 0.71 KCNH2 (0.56)
SCHEMBL8230986 0.69 ALDH1A1 (0.52) LTA4HL3MBTL1
SCHEMBL3269883 0.69 ABCB1 (0.60)
SCHEMBL3269886 0.69 ABCB1 (0.60)
SCHEMBL3265999 0.69 ABCB1 (0.55) LTA4HL3MBTL1
SCHEMBL5884928 0.69 ABCB1 (0.55) LTA4HL3MBTL1
SCHEMBL13186704 0.67 BCHE (0.48)

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
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (2 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 CYP2D6 2/4885LTA4H 2266/4885L3MBTL1 4580/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 CYP2D6 2/4885LTA4H 2266/4885L3MBTL1 4580/4885

“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.