SCHEMBL21189382

SCHEMBL21189382

CN(C)S(=O)(=O)N1CCC(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
ENPP2 Q13822 1/20 0.39
NPC1 O15118 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
CHRM3 P20309 4/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 3/20 0.37
RAB9A P51151 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MCHR1 Q99705 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL19973963 0.92 MCHR1 (0.40) KMT2ALMNAENPP2NPC1CPT2
SCHEMBL21189492 0.88 CHRM3 (0.40) LMNACPT2CPT1ACPT1BCHRM3
SCHEMBL19973909 0.87 IDO1 (0.40) KMT2ALMNAENPP2CPT2CPT1A
SCHEMBL19973907 0.87 IDO1 (0.40) KMT2ALMNAENPP2CPT2CPT1A
SCHEMBL21189310 0.86 MAPT (0.40) LMNACPT2CPT1ACPT1BCHRM3
SCHEMBL21189385 0.85 CHRM3 (0.38) KMT2ALMNAENPP2CPT2CPT1A
SCHEMBL21189308 0.84 MAPT (0.49) KMT2ALMNAMAPTTP53MEN1
SCHEMBL19973622 0.84 CHRM1 (0.47) KMT2ACHRM3MEN1
Hydrochloric Acid SCHEMBL19973889 0.84 CHRM1 (0.46) KMT2ACHRM3MEN1
SCHEMBL21189275 0.81 NPC1 (0.46) KMT2ANPC1CPT2CPT1ACPT1B

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 KMT2A 155/4885LMNA 477/4885ENPP2 3131/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS KMT2A 155/4885LMNA 477/4885ENPP2 3131/4885

“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.