SCHEMBL5000678

SCHEMBL5000678

O=C(O)C1CCCN(C2CCN(c3ccccc3)C2)C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.68
MBTD1 Q05BQ5 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HDAC4 P56524 1/20 0.48
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 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
SCHEMBL613112 0.85 NOTUM (0.81) NOTUMALDH1A1SMN1; SMN2
SCHEMBL4961935 0.85 NOTUM (0.81) NOTUMALDH1A1SMN1; SMN2
SCHEMBL16695597 0.81 NOTUM (1.00) NOTUM
SCHEMBL892785 0.81 NOTUM (1.00) NOTUM
SCHEMBL27615103 0.77 S1PR5 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL17127953 0.77 MBTD1 (0.61) MBTD1L3MBTL3L3MBTL1ALDH1A1HDAC4
SCHEMBL12663092 0.77 MBTD1 (0.61) MBTD1L3MBTL3L3MBTL1ALDH1A1HDAC4
SCHEMBL5007409 0.75 AKR1C3 (0.51) NOTUMALDH1A1HTR2AHRH1HTR2C
SCHEMBL6373468 0.75 CYP2D6 (0.59) ALDH1A1HTR2AHRH1HTR2CHTR2B
SCHEMBL13609480 0.75 SMN1; SMN2 (0.58) MBTD1L3MBTL3L3MBTL1ALDH1A1SMN1; SMN2

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-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 (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-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 NOTUM 3794/4885MBTD1 4035/4885L3MBTL3 3928/4885

“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.