SCHEMBL17954337

SCHEMBL17954337

CCCCCNC(=O)Cc1cc2ccccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
HPGD P15428 1/20 0.47
ASAH1 Q13510 1/20 0.46
NAAA Q02083 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL20799452 0.96 HPGD (0.47) EPHX1HPGD
SCHEMBL5200454 0.78 ALOX12 (0.56) TRPV1HPGDNAAA
SCHEMBL18030296 0.77 ADRB1 (0.39) HPGDKMT2A
SCHEMBL17954341 0.77 TRPV1 (0.51) TRPV1HPGDASAH1
SCHEMBL17955288 0.77 TERT (0.38) HPGDKMT2A
SCHEMBL2574304 0.76 EPHX1 (0.61) EPHX1
SCHEMBL12505085 0.76 TRPV1 (0.53) TRPV1HPGDASAH1
SCHEMBL17955272 0.76 ADRB1 (0.39) HPGDKMT2A
SCHEMBL3347670 0.74 L3MBTL1 (0.61) MAPT
SCHEMBL6360498 0.73 SMN1; SMN2 (0.57) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 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-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 EPHX1 3502/4885TRPV1 4491/4885HPGD 4795/4885

“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.