SCHEMBL21189428

SCHEMBL21189428

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCC1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.37
TRPV1 Q8NER1 5/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
GRM4 Q14833 1/20 0.34
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL21189366 0.86 CHRM3 (0.39) CHRM3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21189406 0.86 CHRM2 (0.41) CHRM3TRPV1TP53
SCHEMBL21189255 0.86 TRPV1 (0.40) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL21189435 0.86 TRPV1 (0.40) TRPV1NPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL19973591 0.86 CHRM2 (0.40) CHRM3TRPV1TP53
SCHEMBL21189274 0.85 CHRNB2 (0.38) CHRM3TRPV1
SCHEMBL21189209 0.85 CHRM3 (0.41) CHRM3TRPV1
SCHEMBL21189519 0.84 TP53 (0.38) MAPTTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL21189357 0.84 TP53 (0.38) MAPTTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL21189326 0.84 NPC1 (0.45) MAPTTRPV1NPC1RAB9ASMN1; SMN2

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 CHRM3 2581/4885MAPT 3165/4885TRPV1 3647/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS CHRM3 2581/4885MAPT 3165/4885TRPV1 3647/4885

“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.