SCHEMBL11934962

SCHEMBL11934962

COc1c(NCCCCCN)ccc2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM2 P08172 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL13565016 0.81 GRIA1 (0.40) CYP1A2CYP2C19CYP3A4CYP2C9MAOA
SCHEMBL13564889 0.81 CYP2C9 (0.37) CYP1A2CYP2C19CYP3A4CYP2C9MAOA
SCHEMBL11935119 0.74 CNR1 (0.39) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL10133341 0.71 MAOA (0.42) CYP2C19CYP3A4CYP2C9MAOAMAPT
SCHEMBL13677597 0.68 MAOA (0.46) CYP2C19CYP3A4CYP2C9MAOAALDH1A1
SCHEMBL28967393 0.68 MAOA (0.56) CYP1A2CYP2C19CYP3A4CYP2C9MAOA
SCHEMBL10114020 0.68 HPGD (0.46) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL19442421 0.67 CHRM2 (0.71) RAD52CHRM2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL7503353 0.67 ALDH1A1 (0.60) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL31741334 0.66 CA12 (0.58) RAD52IDO1ALDH1A1MAPTKDM4E

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 8 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-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-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 (4 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 RAD52 4150/4885CYP1A2 1578/4885CYP2C19 1786/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R RAD52 4105/4885CYP1A2 1506/4885CYP2C19 2319/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R RAD52 3566/4885CYP1A2 1378/4885CYP2C19 1203/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R RAD52 4358/4885CYP1A2 1378/4885CYP2C19 1863/4885

“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.