SCHEMBL11935911

SCHEMBL11935911

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C)cc1NCc1ccc(N)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MITF O75030 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
PTK2B Q14289 1/20 0.31

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
SCHEMBL11941152 1.00 L3MBTL1 (0.34) L3MBTL1POLBALDH1A1KDM4EGAA
SCHEMBL11935962 0.85 POLB (0.33) L3MBTL1POLBALDH1A1HPGDCYP2C19
SCHEMBL11940812 0.85 POLB (0.33) L3MBTL1POLBALDH1A1HPGDCYP2C19
SCHEMBL11935872 0.84 MAPT (0.39) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL11935959 0.83 POLB (0.34) L3MBTL1POLBALDH1A1KDM4EGAA
SCHEMBL11940109 0.83 POLB (0.34) L3MBTL1POLBALDH1A1KDM4EGAA
SCHEMBL11941267 0.83 MAPT (0.39) L3MBTL1POLBALDH1A1GAACYP2C19
SCHEMBL11935883 0.83 MAPT (0.39) L3MBTL1POLBALDH1A1GAACYP2C19
SCHEMBL11935886 0.81 ALDH1A1 (0.39) POLBALDH1A1KDM4EHTTKMT2A
SCHEMBL11941258 0.81 ALDH1A1 (0.39) POLBALDH1A1KDM4EHTTKMT2A

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R L3MBTL1 3168/4885POLB 4519/4885ALDH1A1 3842/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3233/4885POLB 4070/4885ALDH1A1 3361/4885

“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.