SCHEMBL11935962

SCHEMBL11935962

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1NCc1ccc(N)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11940812 1.00 POLB (0.33) POLBL3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL11941152 0.85 L3MBTL1 (0.34) POLBL3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL11935911 0.85 L3MBTL1 (0.34) POLBL3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL11935964 0.85 POLB (0.33) POLBL3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL11940811 0.85 POLB (0.33) POLBL3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL11940815 0.83 POLB (0.32) POLB
SCHEMBL11935999 0.83 POLB (0.32) POLB
SCHEMBL17090292 0.81 L3MBTL1 (0.33) POLBL3MBTL1
SCHEMBL13565938 0.81 L3MBTL1 (0.35) POLBL3MBTL1ALDH1A1
SCHEMBL17090249 0.81 L3MBTL1 (0.35) POLBL3MBTL1ALDH1A1

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 POLB 4519/4885L3MBTL1 3168/4885ALDH1A1 3842/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 4070/4885L3MBTL1 3233/4885ALDH1A1 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.