SCHEMBL27215969

SCHEMBL27215969

CN(c1cc(C(F)(F)F)ccc1F)C1CN(C(=O)CC[C@@H]2COC(=O)N2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ POLQ O75417 5/20 0.34
▸ MGLL Q99685 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ CCRL2 O00421 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SLC6A4 P31645 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
SCHEMBL25254744 0.85 SLC6A4 (0.41) KCNH2CACNA1CSCN5AADAMTS5TACR1
SCHEMBL25294538 0.81 POLB (0.41) KCNH2CACNA1CSCN5AADAMTS5TACR1
SCHEMBL25290096 0.78 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5MGLL
SCHEMBL28986570 0.78 KCNH2 (0.40) KCNH2CACNA1CSCN5AADAMTS5TACR1
SCHEMBL25297074 0.78 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5MGLL
SCHEMBL25254799 0.78 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5MGLL
SCHEMBL25253335 0.74 TEAD1 (0.44) KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25262919 0.72 ENPP2 (0.39) KCNH2CACNA1CSCN5AADAMTS5MGLL
SCHEMBL25253607 0.71 CACNA1B (0.39) ADAMTS5MGLL
SCHEMBL29497045 0.69 USP30 (0.33) TACR1MGLL

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY KCNH2 792/4885CACNA1C 1547/4885SCN5A 2775/4885

“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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