SCHEMBL22337456

SCHEMBL22337456

Cc1ccc(-c2ccc([C@@H](O)CNCCN)c(C(F)(F)F)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.36
▸ ADRB3 P13945 2/20 0.35
▸ TRPV3 Q8NET8 7/20 0.35
▸ ADRB1 P08588 4/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ SYK P43405 3/20 0.32
▸ AURKA O14965 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ SDHB P21912 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 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
SCHEMBL22321581 0.90 TRPV3 (0.42) ADRB3TRPV3ADRB1ADRB2
SCHEMBL22321632 0.90 TRPV3 (0.42) ADRB3TRPV3ADRB1ADRB2
SCHEMBL22321580 0.90 TRPV3 (0.42) ADRB3TRPV3ADRB1ADRB2
SCHEMBL22337539 0.89 KCNH2 (0.37) KCNH2ADRB3TRPV3ADRB1ADRB2
SCHEMBL22337651 0.89 KCNH2 (0.48) KCNH2ADRB3TRPV3ADRB1ADRB2
SCHEMBL22337461 0.88 KCNH2 (0.48) KCNH2ADRB3TRPV3ADRB1ADRB2
SCHEMBL22337760 0.83 FAAH (0.39) KCNH2ADRB3ADRB1ADRB2
SCHEMBL22321567 0.81 KCNH2 (0.44) KCNH2TRPV3ADRB1ADRB2
SCHEMBL22321622 0.81 KCNH2 (0.44) KCNH2TRPV3ADRB1ADRB2
SCHEMBL22321569 0.81 KCNH2 (0.44) KCNH2TRPV3ADRB1ADRB2

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 404/4885ADRB3 26/4885TRPV3 221/4885
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE QDPR, PNMT, CYP3A43 KCNH2 529/4885ADRB3 39/4885TRPV3 293/4885

“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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