SCHEMBL11935964

SCHEMBL11935964

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1NCc1ccc(N)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
MITF O75030 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
HPGD P15428 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
SCHEMBL11940811 1.00 POLB (0.33) POLBMAPTMEN1KMT2ATDP1
SCHEMBL11941267 0.85 MAPT (0.39) POLBMAPTMEN1KMT2ATDP1
SCHEMBL11935883 0.85 MAPT (0.39) POLBMAPTMEN1KMT2ATDP1
SCHEMBL11940812 0.85 POLB (0.33) POLBALDH1A1L3MBTL1CYP2C19HPGD
SCHEMBL11935962 0.85 POLB (0.33) POLBALDH1A1L3MBTL1CYP2C19HPGD
SCHEMBL11935949 0.83 MAPT (0.40) POLBMAPTMEN1KMT2ATDP1
SCHEMBL13565966 0.81 L3MBTL1 (0.35) POLBMAPTMEN1KMT2ATDP1
SCHEMBL11941266 0.81 L3MBTL1 (0.33) POLBMAPTMEN1KMT2ATDP1
SCHEMBL11936097 0.81 L3MBTL1 (0.33) POLBMAPTMEN1KMT2ATDP1
SCHEMBL17090553 0.81 L3MBTL1 (0.35) POLBMAPTMEN1KMT2ATDP1

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 4519/4885MAPT 3293/4885MEN1 1550/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 4070/4885MAPT 4321/4885MEN1 2254/4885

“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.