SCHEMBL21189373

SCHEMBL21189373

COC(=O)N[C@H]1CCCc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.46
TAS1R1 Q7RTX1 7/20 0.46
TAS1R2 Q8TE23 5/20 0.46
APOB P04114 4/20 0.44
MTTP P55157 4/20 0.44
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMO Q99835 2/20 0.40

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
SCHEMBL19973507 0.89 TP53 (0.47) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL19973509 0.89 TP53 (0.47) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL19973585 0.88 KMT2A (0.46) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL19973584 0.88 KMT2A (0.46) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL21189386 0.85 TP53 (0.46) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL21189391 0.83 NPC1 (0.44) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL20511808 0.82 TP53 (0.49) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL30450232 0.82 TP53 (0.44) TAS1R3TAS1R1TAS1R2TP53KMT2A
SCHEMBL20509884 0.82 TP53 (0.44) TAS1R3TAS1R1TAS1R2TP53KMT2A
Hydrochloric Acid SCHEMBL26597540 0.81 TP53 (0.48) TAS1R3TAS1R1TAS1R2TP53KMT2A

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 TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885

“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.