SCHEMBL22374375

SCHEMBL22374375

CCN[C@H]1CCC[C@@H](NC)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
ROCK1 Q13464 1/20 0.35
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 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
SCHEMBL19723091 0.91 KCNH2 (0.41) KCNH2S1PR4S1PR1S1PR3
SCHEMBL7058167 0.91 KCNH2 (0.44) KCNH2ROCK1S1PR4S1PR1S1PR3
SCHEMBL9926873 0.83 ADH1B (0.41) ADH1BADH1CADH1AADH7
SCHEMBL20737115 0.83 ADH1B (0.41) ADH1BADH1CADH1AADH7
SCHEMBL220372 0.83 ADH1B (0.41) ADH1BADH1CADH1AADH7
SCHEMBL24920902 0.80
SCHEMBL14922461 0.80 KDM4E (0.37) S1PR4S1PR1S1PR3S1PR5
SCHEMBL454473 0.80
Ammonia Solution, Strong SCHEMBL7567537 0.80 ADH1B (0.39) ADH1BADH1CADH1AADH7
SCHEMBL1362018 0.79 KDM4E (0.41) KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2020-08-27 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 (3 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 KCNH2 4883/4885ROCK1 2251/4885S1PR4 4639/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 KCNH2 4883/4885ROCK1 2251/4885S1PR4 4639/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 KCNH2 4883/4885ROCK1 2251/4885S1PR4 4639/4885

“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.