SCHEMBL21189302

SCHEMBL21189302

CC(=O)NCCOC(=O)N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(C)c3)ccc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HTR2B P41595 1/20 0.34
DRD4 P21917 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAB9A P51151 2/20 0.33
RORC P51449 3/20 0.33
CASP6 P55212 1/20 0.33
AVPR2 P30518 2/20 0.32
MTNR1A P48039 2/20 0.32
GRM4 Q14833 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL21189433 0.86 APOB (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL21189248 0.86 APOB (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL19973451 0.86 HTR2B (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL19973450 0.86 HTR2B (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL21189307 0.83 HDAC3 (0.38) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL19973441 0.83 HTR2B (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL19973442 0.83 HTR2B (0.40) NPC1HTR2BDRD4TMEM97SIGMAR1
SCHEMBL21189277 0.83 GRM4 (0.37) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189300 0.83 SMN1; SMN2 (0.38) DRD4TMEM97SIGMAR1RAB9AAVPR2
SCHEMBL21189256 0.83 ALDH1A1 (0.39) NPC1RAB9AGRM4

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 NPC1 983/4885CASP3 319/4885SENP8 188/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS NPC1 983/4885CASP3 319/4885SENP8 188/4885

“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.