SCHEMBL22964326

SCHEMBL22964326

SCc1cccc(N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 2/20 0.65
▸ LMNA P02545 1/20 0.53
▸ KMO O15229 1/20 0.51
▸ SIGMAR1 Q99720 4/20 0.48
▸ TMEM97 Q5BJF2 3/20 0.48
▸ ADRA2A P08913 2/20 0.48
▸ ADRA2B P18089 2/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ LGMN Q99538 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ PLOD2 O00469 2/20 0.45
▸ PLOD3 O60568 2/20 0.45
▸ PLOD1 Q02809 2/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL4507051 0.83 AGXT (0.65) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL671148 0.83 AGXT (0.65) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL18295011 0.83 AGXT (0.65) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL29867053 0.83 AGXT (0.65) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL9302706 0.83 AGXT (0.65) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL108136 0.83 AGXT (0.69) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL23662605 0.81 AGXT (0.63) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL27329825 0.81 LMNA (0.71) AGXTLMNAKMOLGMNDHFR
SCHEMBL13725027 0.80 AGXT (0.66) AGXTLMNAKMOSIGMAR1TMEM97
SCHEMBL425652 0.80 AGXT (0.66) AGXTLMNAKMOSIGMAR1TMEM97

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-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 — — US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 — — 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR AGXT 667/4885LMNA 3338/4885KMO 2904/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR AGXT 667/4885LMNA 3338/4885KMO 2904/4885

“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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