SCHEMBL27010070

SCHEMBL27010070

COc1cccc2c1CN(C(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.47
KCNH2 Q12809 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
TIPARP Q7Z3E1 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 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
SCHEMBL16624022 0.85 ABHD6 (0.50) ABHD6GABRA1GABRG2GABRB3DRD2
SCHEMBL27010059 0.85 DRD2 (0.54) GABRA1GABRG2GABRB3DRD2DRD3
SCHEMBL8036747 0.82 KCNH2 (0.37) KCNH2TMEM97SIGMAR1GABRA1GABRG2
SCHEMBL23711841 0.78 GABRA1 (0.40) KCNH2TMEM97SIGMAR1GABRA1GABRG2
SCHEMBL24702156 0.77 DRD2 (0.55) ABHD6GABRA1GABRG2GABRB3DRD2
SCHEMBL22334637 0.77 DRD2 (0.54) ABHD6DRD2DRD3DRD1DRD5
SCHEMBL15449628 0.77 KIF11 (0.42) KCNH2TMEM97SIGMAR1ALDH1A1HPGD
SCHEMBL8027741 0.76 KMT2A (0.46) KCNH2TMEM97SIGMAR1GABRA1GABRG2
SCHEMBL13243094 0.75 KCNH2 (0.58) KCNH2TMEM97SIGMAR1DRD2DRD3
SCHEMBL12367365 0.75 ADRA2A (0.44) KCNH2TMEM97SIGMAR1TRAP1

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ABHD6 3261/4885KCNH2 4811/4885TMEM97 3680/4885

“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.