SCHEMBL3721043

SCHEMBL3721043

CN1CCN(CCOC(=O)N2CCCc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
PRMT5 O14744 3/20 0.54
WDR77 Q9BQA1 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 5/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3662555 0.92 NPC1 (0.60) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7423344 0.84 NPC1 (0.59) NOTUMPRMT5WDR77ALDH1A1NPC1
SCHEMBL5426108 0.83 NOTUM (0.65) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1
SCHEMBL9526047 0.82 SMN1; SMN2 (0.59) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1
SCHEMBL22079937 0.79 ALDH1A1 (0.76) NOTUMSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9208129 0.78 NOTUM (0.57) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1
SCHEMBL30039812 0.77 NOTUM (0.69) NOTUMSMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL926908 0.77 NOTUM (0.69) NOTUMSMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL27616400 0.76 NPC1 (0.84) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1
SCHEMBL10441426 0.76 NOTUM (0.56) NOTUMPRMT5WDR77SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US claimed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO 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-20090176798-A1 New compounds III GPR119, FABP4, GLP1R NOTUM 1218/4885PRMT5 1890/4885WDR77 2024/4885

“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.