SCHEMBL22680868

SCHEMBL22680868

CC(C)(C)c1ccc(NCC2CCCOC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ NAMPT P43490 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL22681016 0.85 CA1 (0.38) ALDH1A1LMNAKDM4EGAAEPHX1
SCHEMBL22680866 0.82 CNR2 (0.47) CNR2NAMPTALDH1A1LMNAKDM4E
SCHEMBL22699596 0.80 EPHX1 (0.45) CNR2NAMPTALDH1A1LMNAKDM4E
SCHEMBL25950639 0.78 IRAK1 (0.39) CCNT1CLK1CLK2CLK3DYRK1A
SCHEMBL20248307 0.75 EPHX1 (0.44) CNR2CNR1NAMPTLMNAGAA
SCHEMBL10994631 0.74 CCNT1 (0.49) CNR2NAMPTLMNACCNT1CDK9
SCHEMBL12176285 0.74 MAPT (0.42) CNR2NAMPTALDH1A1KDM4EGAA
SCHEMBL21163853 0.74 MAPT (0.42) CNR2NAMPTALDH1A1KDM4EGAA
SCHEMBL25039655 0.73 CA1 (0.39) CNR2ALDH1A1GAAEPHX1EPHX2
SCHEMBL13438908 0.73 CA1 (0.39) CNR2ALDH1A1GAAEPHX1EPHX2

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-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 — — US disclosed
US-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — 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 (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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH CNR2 4405/4885CNR1 4561/4885NAMPT 478/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH CNR2 4386/4885CNR1 4446/4885NAMPT 465/4885

“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.

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