SCHEMBL22337461

SCHEMBL22337461

CCCCCCCNC[C@@H](O)c1ccc(-c2ccc(C)cc2)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.48
▸ ADRB1 P08588 5/20 0.39
▸ ADRB2 P07550 5/20 0.39
▸ ADRB3 P13945 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.31
▸ GCGR P47871 1/20 0.31
▸ MLYCD O95822 1/20 0.31

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
SCHEMBL22337651 0.99 KCNH2 (0.48) KCNH2ADRB1ADRB2ADRB3L3MBTL1
SCHEMBL22321566 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321562 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321620 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321570 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321545 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321546 0.92 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321554 0.90 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321557 0.90 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3
SCHEMBL22321592 0.90 KCNH2 (0.48) KCNH2ADRB1ADRB2TLR8TRPV3

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-11220482-B2 Aminopyridinemethanol compounds and their use UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2022-01-11 — — US disclosed
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE UNIV AMIENS PICARDIE JULES VERNE (FR) 2020-08-13 — — 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-11220482-B2 Aminopyridinemethanol compounds and their use QDPR, PNMT, CYP3A43 KCNH2 404/4885ADRB1 25/4885ADRB2 22/4885
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE QDPR, PNMT, CYP3A43 KCNH2 529/4885ADRB1 25/4885ADRB2 27/4885

“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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