SCHEMBL21189187

SCHEMBL21189187

COc1ccnc(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(F)c4)cccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT1 P42224 1/20 0.36
AKR1C3 P42330 1/20 0.36
P2RX7 Q99572 2/20 0.35
PTGES O14684 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
GRM4 Q14833 1/20 0.34
ACKR3 P25106 1/20 0.34
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 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 0.90 NPC1 (0.39) RAB9ANPC1MAPTP2RX7PTGES
SCHEMBL21189189 0.90 MEN1 (0.38) RAB9ANPC1MAPTMEN1GAA
SCHEMBL21189264 0.89 NPC1 (0.44) RAB9ANPC1MAPTP2RX7ALDH1A1
SCHEMBL19973466 0.89 NPC1 (0.44) RAB9ANPC1MAPTP2RX7ALDH1A1
SCHEMBL21189330 0.89 NPC1 (0.44) RAB9ANPC1MAPTP2RX7ALDH1A1
SCHEMBL21189272 0.87 GRM4 (0.36) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL21189253 0.87 PTGES (0.37) KMT2AAKR1C3PTGESALDH1A1TP53
SCHEMBL21189337 0.86 P2RX7 (0.39) KMT2AP2RX7PTGESTP53GRM4
SCHEMBL21189250 0.86 GRM4 (0.36) RAB9ANPC1MAPTP2RX7PTGES
SCHEMBL21189252 0.86 TRPV1 (0.36) RAB9ANPC1GAAP2RX7PTGES

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 RAB9A 1393/4885NPC1 983/4885MAPT 3165/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS RAB9A 1393/4885NPC1 983/4885MAPT 3165/4885

“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.