SCHEMBL21189252

SCHEMBL21189252

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCc1ccon1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PTGES O14684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
P2RX7 Q99572 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
SCHEMBL21189427 0.88 NPC1 (0.39) RAB9ANPC1SMN1; SMN2PTGESALDH1A1
SCHEMBL19973466 0.87 NPC1 (0.44) RAB9ANPC1TP53SMN1; SMN2HPGD
SCHEMBL21189330 0.87 NPC1 (0.44) RAB9ANPC1TP53SMN1; SMN2HPGD
SCHEMBL21189264 0.87 NPC1 (0.44) RAB9ANPC1TP53SMN1; SMN2HPGD
SCHEMBL21189353 0.87 PTGES (0.36) TRPV1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL21189337 0.86 P2RX7 (0.39) TRPV1TP53PTGESP2RX7
SCHEMBL21189272 0.86 GRM4 (0.36) TRPV1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL21189250 0.86 GRM4 (0.36) TRPV1RAB9ANPC1TP53PTGES
SCHEMBL21189263 0.85 NAMPT (0.39) TRPV1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL19973602 0.85 NAMPT (0.39) TRPV1RAB9ANPC1TP53SMN1; 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 TRPV1 3647/4885RAB9A 1393/4885NPC1 983/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TRPV1 3647/4885RAB9A 1393/4885NPC1 983/4885

“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.