SCHEMBL20101129

SCHEMBL20101129

CCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL24376209 0.99 MTNR1A (0.42) MTNR1AMTNR1BHPGDNPSR1CA12
SCHEMBL23365653 0.97 MTNR1A (0.43) MTNR1AMTNR1BHPGDNPSR1CYP1A2
SCHEMBL17955292 0.93 NR1H2 (0.43) MTNR1AMTNR1BPPARGNR1H2PPARD
SCHEMBL17381242 0.93 CA12 (0.41) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL22077955 0.89 HPGD (0.42) MTNR1AHPGDNPSR1CA12CA1
SCHEMBL18165642 0.89 TERT (0.44) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL22404704 0.87 TERT (0.40) MTNR1AMTNR1BNPSR1PPARGNR1H2
SCHEMBL24376615 0.85 HPGD (0.42) MTNR1AMTNR1BHPGDNPSR1KDM4E
SCHEMBL22172455 0.85 TERT (0.40) MTNR1AMTNR1BNPSR1PPARGNR1H2
SCHEMBL20101483 0.85 CA12 (0.36) MTNR1AMTNR1BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 MTNR1A 4109/4885MTNR1B 4322/4885HPGD 4793/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 MTNR1A 4109/4885MTNR1B 4322/4885HPGD 4793/4885

“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.