SCHEMBL21146664

SCHEMBL21146664

CCC(C)NC(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL21146046 0.90 NAMPT (0.36) NPC1RAB9AMAOAMAOBLMNA
SCHEMBL21146183 0.90 NAMPT (0.36) NPC1RAB9AMAOAMAOBLMNA
SCHEMBL29387634 0.90 NAMPT (0.36) NPC1RAB9AMAOAMAOBLMNA
SCHEMBL29387603 0.90 NAMPT (0.36) NPC1RAB9AMAOAMAOBLMNA
SCHEMBL21146044 0.90 NAMPT (0.36) NPC1RAB9AMAOAMAOBLMNA
SCHEMBL23456651 0.89 SLC10A1 (0.47) NPC1RAB9AMAOAMAOBTSHR
SCHEMBL29390173 0.89 SLC10A1 (0.47) NPC1RAB9AMAOAMAOBTSHR
SCHEMBL21146662 0.89 SLC10A1 (0.47) NPC1RAB9AMAOAMAOBTSHR
SCHEMBL21146666 0.83 HTT (0.54) NPC1RAB9AMAOAMAOBTSHR
SCHEMBL21146668 0.83 NPC1 (0.46) NPC1RAB9AMAOAMAOBTSHR

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 5 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

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 NPC1 117/4885RAB9A 1300/4885MAOA 4277/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885MAOA 4277/4885

“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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