SCHEMBL4171124

SCHEMBL4171124

CCOCCN1C(=O)C2(NC(=O)NC2=O)c2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.39
MMP14 P50281 2/20 0.37
ALDH1A1 P00352 7/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 4/20 0.34
POLB P06746 3/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RCE1 Q9Y256 1/20 0.33
PKM P14618 1/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4164829 0.88 AKR1B1 (0.41) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4171777 0.88 AKR1B1 (0.46) AKR1B1MMP14
SCHEMBL4167818 0.88 AKR1B1 (0.46) AKR1B1MMP14
SCHEMBL4176354 0.85 AKR1B1 (0.42) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4170928 0.84 AKR1B1 (0.39) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4255427 0.84 MAPT (0.45) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4170549 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL4159430 0.82 PLA2G7 (0.50) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4254388 0.81 AKR1B1 (0.41) AKR1B1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4169530 0.81 L3MBTL1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAPOLB

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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 AKR1B1 344/4885MMP14 4587/4885ALDH1A1 550/4885

“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.