SCHEMBL16627089

SCHEMBL16627089

CCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HPGD P15428 3/20 0.45
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRNP P04156 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
SCHEMBL16627109 0.96 CYP1A2 (0.47) MTNR1AMTNR1BHPGDTACR1ALDH1A1
SCHEMBL17954340 0.86 NR1H2 (0.49) MTNR1AALDH1A1KDM4EMAPTDHODH
SCHEMBL17954339 0.85 MTNR1A (0.49) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL17954335 0.84 ALDH1A1 (0.41) HPGDTACR1ALDH1A1HTTCYP1A2
SCHEMBL20101278 0.82 KMT2A (0.41) HPGDTACR1ALDH1A1HTTCYP1A2
SCHEMBL20101129 0.82 MTNR1A (0.43) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL20101409 0.82 TACR1 (0.39) HPGDTACR1ALDH1A1KDM4EHTT
SCHEMBL18027832 0.81 MTNR1A (0.40) MTNR1AMTNR1BHPGD
SCHEMBL24376209 0.81 MTNR1A (0.42) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL17954342 0.81 HPGD (0.56) MTNR1AHPGDALDH1A1KDM4ECYP1A2

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 5 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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 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 (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 MTNR1A 4138/4885MTNR1B 4314/4885HPGD 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.