SCHEMBL21062255

SCHEMBL21062255

CC[C@H](C)NC(=O)C(F)(F)c1c(C(=O)Nc2ccc(F)c(C)c2)ccn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ KCNK3 O14649 2/20 0.33
▸ KCNK9 Q9NPC2 2/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TRPV4 Q9HBA0 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
SCHEMBL21062235 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDRAB9AKCNJ6
SCHEMBL21062236 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDRAB9AKCNJ6
SCHEMBL29387654 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDRAB9AKCNJ6
SCHEMBL29390722 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDRAB9AKCNJ6
SCHEMBL29390180 0.88 SLC10A1 (0.38) ALDH1A1KDM4EHPGDRAB9AMAOB
SCHEMBL21146494 0.88 SLC10A1 (0.38) ALDH1A1KDM4EHPGDRAB9AMAOB
SCHEMBL21146220 0.83 HTT (0.39) ALDH1A1KDM4ERAB9AKCNJ6KCNJ5
SCHEMBL29390125 0.83 HTT (0.39) ALDH1A1KDM4ERAB9AKCNJ6KCNJ5
SCHEMBL21146046 0.83 NAMPT (0.36) RAB9AKCNJ6KCNJ5KCNJ3MAOB
SCHEMBL21146044 0.83 NAMPT (0.36) RAB9AKCNJ6KCNJ5KCNJ3MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KDM4E 3751/4885HPGD 2439/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885KDM4E 3751/4885HPGD 2439/4885

“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.

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