SCHEMBL21875482

SCHEMBL21875482

Cn1ccc(-c2cc(F)c(CCl)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SCN4A P35499 1/20 0.44
KEAP1 Q14145 1/20 0.43
CYP19A1 P11511 1/20 0.40
KCNH2 Q12809 4/20 0.39
JMJD6 Q6NYC1 2/20 0.37
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KAT8 Q9H7Z6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL15729600 0.83 KEAP1 (0.47) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL21875456 0.83 KMT2A (0.46) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL21875491 0.81 SCN4A (0.45) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL29394217 0.81 SCN4A (0.45) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL20456872 0.77 KMT2A (0.46) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL14277965 0.75 KEAP1 (0.53) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL28067366 0.74 SCN4A (0.56) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL15729287 0.73 KMT2A (0.46) KMT2ASCN4AKEAP1CYP19A1JMJD6
SCHEMBL14122703 0.72 KEAP1 (0.58) KMT2ASCN4AKEAP1CYP19A1KCNH2
SCHEMBL28481731 0.71 SCN4A (0.49) KMT2ASCN4AKEAP1CYP19A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2024-08-20 US disclosed
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 US disclosed
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 US disclosed
US-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2020-04-30 US disclosed
US-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2020-04-30 US disclosed
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 US disclosed
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 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 (4 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-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885SCN4A 621/4885KEAP1 2860/4885
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885SCN4A 621/4885KEAP1 2860/4885
US-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885SCN4A 621/4885KEAP1 2860/4885
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885SCN4A 621/4885KEAP1 2860/4885

“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.