SCHEMBL21189489

SCHEMBL21189489

COC(=O)N[C@H]1CCOc2c(C(=O)Nc3cccc(C#N)c3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SIRT2 Q8IXJ6 4/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
SIRT1 Q96EB6 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 1/20 0.43
P2RX1 P51575 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
GRM4 Q14833 1/20 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
SCHEMBL19973595 0.89 HTT (0.53) HTTOPRM1OPRD1RXFP1GRM5
SCHEMBL19973597 0.89 HTT (0.53) HTTOPRM1OPRD1RXFP1GRM5
SCHEMBL21189407 0.86 CREBBP (0.42) HTTKMT2ATSHR
SCHEMBL21189185 0.85 FADS1 (0.45) HTTGRM5P2RX1KMT2A
SCHEMBL19973620 0.83 RXFP1 (0.51) RXFP1P2RX1
SCHEMBL21189485 0.83 TP53 (0.42) TSHR
SCHEMBL21189262 0.83 TP53 (0.42) TSHR
SCHEMBL21189206 0.83 TP53 (0.42) TSHR
SCHEMBL21189350 0.82 TRPV1 (0.38) KMT2AL3MBTL1TSHR
SCHEMBL21189267 0.82 AKR1C3 (0.38) L3MBTL1

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 HTT 2199/4885SIRT2 181/4885OPRM1 4599/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS HTT 2199/4885SIRT2 181/4885OPRM1 4599/4885

“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.