SCHEMBL21432168

SCHEMBL21432168

O=C1OC(c2ccccc2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CCC[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 7/20 0.36
▸ HTR6 P50406 1/20 0.34
▸ HSD11B1 P28845 2/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL21432161 0.89 CACNA1H (0.31) —
SCHEMBL28361097 0.87 CSNK1D (0.35) FADS1HTR6HSD11B1ROCK2ROCK1
SCHEMBL21432176 0.86 BRAF (0.33) —
SCHEMBL21432162 0.84 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL17926042 0.84 FADS1 (0.36) FADS1HTR6HSD11B1ROCK2ROCK1
SCHEMBL21506794 0.84 FADS1 (0.36) FADS1HTR6HSD11B1ROCK2ROCK1
SCHEMBL21432180 0.82 HDAC6 (0.39) —
SCHEMBL28361061 0.81 FADS1 (0.37) FADS1NPC1RAB9A
SCHEMBL21432171 0.81 FPR1 (0.32) —
SCHEMBL21432328 0.80 CYP1A2 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729688-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-04 — — US disclosed
US-20190321360-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-10-24 — — US disclosed
WO-2019191166-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-03 — — 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-20190321360-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF FADS1 3359/4885HTR6 4588/4885HSD11B1 396/4885
US-10729688-B2 Hepatitis B antiviral agents HAVCR2, SLC10A1, HDGF FADS1 3359/4885HTR6 4588/4885HSD11B1 396/4885

“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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