SCHEMBL21189212

SCHEMBL21189212

CC(=O)N1CCC(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(F)c4)cccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
TRPV4 Q9HBA0 2/20 0.37
CHRM3 P20309 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
ENPP2 Q13822 1/20 0.35
PTGES O14684 1/20 0.35
OPRL1 P41146 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 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
SCHEMBL21189305 0.95 MEN1 (0.40) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL21189536 0.92 CHRM3 (0.43) HDAC3HDAC1HDAC2CHRM3LMNA
SCHEMBL19973972 0.90 CHRM3 (0.48) CHRM3
SCHEMBL19973970 0.90 CHRM3 (0.48) CHRM3
SCHEMBL21189406 0.87 CHRM2 (0.41) HDAC1HDAC2CHRM3TRPV1
SCHEMBL21189398 0.87 CHRM3 (0.43) CHRM3LMNAMAPT
Hydrochloric Acid SCHEMBL19973591 0.87 CHRM2 (0.40) HDAC1HDAC2CHRM3TRPV1
SCHEMBL21189210 0.86 CHRM3 (0.41) HDAC1HDAC2CHRM3LMNAMAPT
SCHEMBL21189326 0.85 NPC1 (0.45) MEN1KMT2ALMNAMAPTTRPV1
SCHEMBL21189486 0.85 NPC1 (0.45) MEN1KMT2ALMNAMAPTTRPV1

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS MEN1 1933/4885KMT2A 155/4885HDAC3 66/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MEN1 1933/4885KMT2A 155/4885HDAC3 66/4885

“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.