SCHEMBL19841978

SCHEMBL19841978

O=C(CN1CCOC[C@H](O)[C@@H](F)C1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19841979 0.91 MEN1 (0.49) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL21100502 0.85 ALDH1A1 (0.43) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL21165288 0.85 ALDH1A1 (0.43) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL21100503 0.85 ALDH1A1 (0.43) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL21100504 0.85 ALDH1A1 (0.43) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL19841946 0.84 MEN1 (0.49) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL19841947 0.82 MEN1 (0.54) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL18084853 0.82 MEN1 (0.63) MEN1KMT2ANPSR1MAPTTMEM97
SCHEMBL1128242 0.80 MEN1 (0.71) MEN1KMT2APOLBNPSR1ALDH1A1
SCHEMBL19934909 0.77 FUCA1 (0.55) MEN1KMT2APOLBALDH1A1SIGMAR1

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-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-07-19 — — US disclosed
US-9884831-B2 Azocane and azonane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-06 — — 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 (1 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-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, SLC10A1 MEN1 2049/4885KMT2A 2234/4885POLB 1978/4885

“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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