SCHEMBL18612676

SCHEMBL18612676

CCCCCCCC(C)(CCCC)c1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP19A1 P11511 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ S1PR2 O95136 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL22964913 1.00 FAAH (0.39) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL18557088 0.98 FAAH (0.40) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL22828519 0.98 FAAH (0.40) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL24871950 0.98 FAAH (0.40) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL24872011 0.98 FAAH (0.40) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL18415044 0.95 FAAH (0.38) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL23842514 0.95 CYP2D6 (0.41) FAAHCYP2D6CYP19A1CYP3A4LMNA
SCHEMBL21784727 0.89 CYP2D6 (0.40) FAAHCYP2D6CYP19A1CYP3A4LMNA
SCHEMBL20877706 0.85 CNR2 (0.40) FAAHCYP2D6CYP19A1CNR2CNR1
SCHEMBL21784451 0.83 CYP2D6 (0.41) FAAHCYP2D6CYP19A1CNR2CNR1

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-20220017506-A1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2022-01-20 — — US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 — — 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-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HDGF, HCCS, BCAT1 FAAH 3436/4885CYP2D6 2032/4885CYP19A1 3348/4885
US-20220017506-A1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, MGAT3 FAAH 3499/4885CYP2D6 260/4885CYP19A1 1751/4885

“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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