SCHEMBL11935959

SCHEMBL11935959

Cc1c(NCc2ccc(N)cc2)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KMT2A Q03164 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
SCHEMBL11940109 1.00 POLB (0.34) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL11941213 0.90 KDM4E (0.36) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL11935924 0.90 KDM4E (0.36) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL11935880 0.84 KDM4E (0.37) POLBKDM4EMAPTALDH1A1TRPV1
SCHEMBL11940815 0.84 POLB (0.32) POLB
SCHEMBL11935999 0.84 POLB (0.32) POLB
SCHEMBL11941152 0.83 L3MBTL1 (0.34) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL11935911 0.83 L3MBTL1 (0.34) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL11940113 0.81 KDM4E (0.34) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL13105795 0.81 KDM4E (0.34) POLBKDM4EMAPTALDH1A1LMNA

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 4519/4885KDM4E 1765/4885MAPT 3293/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 4070/4885KDM4E 1334/4885MAPT 4321/4885

“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.