SCHEMBL17954341

SCHEMBL17954341

CCCCCNC(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.51
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
HPGD P15428 2/20 0.48
ASAH1 Q13510 1/20 0.47

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
SCHEMBL12505085 0.99 TRPV1 (0.53) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL531059 0.87 HPGD (0.61) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL20101172 0.81 HDAC3 (0.46) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL20101139 0.81 HDAC1 (0.47) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL21171734 0.80 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL20101171 0.80 HDAC3 (0.45) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL5020897 0.80 HDAC3 (0.61) TRPV1HDAC3HDAC1HDAC2
SCHEMBL30445391 0.79 EPHX2 (0.61) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL30444584 0.79 EPHX2 (0.61) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL17955251 0.78 HDAC3 (0.43) TRPV1HDAC3HDAC1HDAC2HDAC4

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 TRPV1 4491/4885HDAC3 1654/4885HDAC1 1903/4885

“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.