SCHEMBL11935942

SCHEMBL11935942

COc1cc(NCc2ccc(N)cc2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.61
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
HDAC1 Q13547 2/20 0.57
TUBB4A P04350 2/20 0.56
TUBB P07437 2/20 0.56
TUBA3C P0DPH7 2/20 0.56
TUBA1B P68363 2/20 0.56
TUBA4A P68366 2/20 0.56
TUBB4B P68371 2/20 0.56
TUBB3 Q13509 2/20 0.56
TUBB2A Q13885 2/20 0.56
TUBB8 Q3ZCM7 2/20 0.56
TUBA3E Q6PEY2 2/20 0.56
TUBA1A Q71U36 2/20 0.56
TUBA1C Q9BQE3 2/20 0.56
TUBB6 Q9BUF5 2/20 0.56
TUBB2B Q9BVA1 2/20 0.56
TUBB1 Q9H4B7 2/20 0.56
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL13105785 0.90 TUBB4A (0.56) CYP19A1BCHEACHEHDAC1TUBB4A
SCHEMBL9190510 0.85 TUBB4A (0.77) BCHEACHETUBB4ATUBBTUBA3C
SCHEMBL12963403 0.85 TUBB1 (0.58) BCHEACHEHDAC1TUBB4ATUBB
SCHEMBL11936068 0.84 ALDH1A1 (0.60) CYP19A1HDAC1KDM4EMEN1ALDH1A1
SCHEMBL6815042 0.84 MAPT (0.59) BCHEACHEHDAC1TUBB4ATUBB
SCHEMBL5841682 0.83 TUBB4A (0.59) BCHEACHEHDAC1TUBB4ATUBB
SCHEMBL29066083 0.82 POLB (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12933316 0.81 TUBB4A (0.54) BCHEACHEHDAC1TUBB4ATUBB
SCHEMBL1998287 0.78 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6004368 0.78 MAPT (0.58) HDAC1TUBB4ATUBBTUBA3CTUBA1B

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 9 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-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-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
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 CYP19A1 1068/4885BCHE 1854/4885ACHE 1699/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CYP19A1 713/4885BCHE 2012/4885ACHE 2624/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CYP19A1 575/4885BCHE 1928/4885ACHE 2490/4885

“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.