SCHEMBL11934833

SCHEMBL11934833

NC1CCC(CNCc2cccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.55
NPY5R Q15761 1/20 0.55
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
MC5R P33032 2/20 0.46
MAPK1 P28482 1/20 0.46
MC1R Q01726 1/20 0.44
HPGD P15428 1/20 0.44
CA2 P00918 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.43
DNM1 Q05193 1/20 0.42

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
SCHEMBL13438712 1.00 NPY1R (0.55) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL13438739 0.79 NPY1R (0.56) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL11934863 0.79 NPY1R (0.56) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL11935144 0.79 CXCR4 (0.56) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL13438738 0.78 ACHE (0.41) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL11934877 0.78 ACHE (0.41) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL17090300 0.75 NPY5R (0.59) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL13565399 0.75 NPY5R (0.59) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL13565004 0.75 NPY5R (0.53) NPY1RNPY5RMEN1TP53CYP3A4
SCHEMBL6008064 0.75 MC5R (0.70) MEN1CYP2D6CYP2C9CYP2C19KMT2A

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 7 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-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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 NPY1R 2/4885NPY5R 1/4885MEN1 1550/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY1R 2/4885NPY5R 1/4885MEN1 1233/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPY1R 2/4885NPY5R 1/4885MEN1 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.