Sugi Predict

Sugi Predict / Compounds / SCHEMBL11941267

SCHEMBL11941267

SCHEMBL11941267

Cc1cc(N2CC(C)O[C@H](C)C2)ccc1NCc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ NTRK1 P04629 2/20 0.37
▸ WNT3A P56704 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34

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
SCHEMBL11935883 1.00 MAPT (0.39) MAPTTRPV1NTRK1WNT3AMEN1
SCHEMBL13105800 0.88 NTRK1 (0.40) MAPTTRPV1NTRK1WNT3APOLB
SCHEMBL11935884 0.88 NTRK1 (0.40) MAPTTRPV1NTRK1WNT3APOLB
SCHEMBL11940108 0.86 MAPT (0.36) MAPTTRPV1NTRK1WNT3APOLB
SCHEMBL11935953 0.86 MAPT (0.36) MAPTTRPV1NTRK1WNT3APOLB
SCHEMBL11935964 0.85 POLB (0.33) MAPTMEN1KMT2ATDP1POLB
SCHEMBL11940811 0.85 POLB (0.33) MAPTMEN1KMT2ATDP1POLB
SCHEMBL11941152 0.83 L3MBTL1 (0.34) MAPTTRPV1MEN1KMT2ATDP1
SCHEMBL11935911 0.83 L3MBTL1 (0.34) MAPTTRPV1MEN1KMT2ATDP1
SCHEMBL11935903 0.82 MAPT (0.51) MAPTTRPV1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — 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 (3 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 MAPT 3293/4885TRPV1 295/4885NTRK1 150/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885TRPV1 288/4885NTRK1 308/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885TRPV1 329/4885NTRK1 346/4885

“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.