SCHEMBL10114019

SCHEMBL10114019

CC(C)[S+]([O-])NC1CCC(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
GAA P10253 2/20 0.51
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
MGLL Q99685 1/20 0.46
PKM P14618 1/20 0.46
LIMK2 P53671 1/20 0.45
ABL1 P00519 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44

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
SCHEMBL12882777 0.80 MTNR1A (0.53) MTNR1AMTNR1BGAAF13A1TGM2
SCHEMBL13203761 0.76 MTNR1A (0.53) MTNR1AMTNR1BGAAF13A1TGM2
SCHEMBL10113212 0.76 MTNR1A (0.53) MTNR1AMTNR1BGAAF13A1TGM2
SCHEMBL13973370 0.74 MTNR1A (0.55) MTNR1AMTNR1BGAAF13A1TGM2
SCHEMBL10113914 0.73 NAMPT (0.46) MTNR1AMTNR1BGAANPSR1SMN1; SMN2
SCHEMBL4720318 0.71 MTNR1A (0.82) MTNR1AMTNR1BGAAMGLLPKM
SCHEMBL28212694 0.71 MTNR1A (0.72) MTNR1AMTNR1BGAAF13A1TGM2
SCHEMBL10113919 0.70 POLB (0.54) GAAF13A1TGM2NPSR1SMN1; SMN2
SCHEMBL10113932 0.70 SMN1; SMN2 (0.60) MTNR1AMTNR1BGAANPSR1RECQL
SCHEMBL11748157 0.69 MTNR1B (0.68) MTNR1BF13A1TGM2NPSR1NPY5R

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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 (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MTNR1A 177/4885MTNR1B 270/4885GAA 3316/4885

“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.