SCHEMBL3367450

SCHEMBL3367450

C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4ccccc4C#N)CC3)cc2)C[C@H](C)O1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
MCHR1 Q99705 1/20 0.40
ME3 Q16798 1/20 0.39
ACACB O00763 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38

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
SCHEMBL3345789 0.88 MAPT (0.42) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL3347288 0.85 BRAF (0.44) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL12059137 0.80 POLB (0.52) MAPTALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL10190932 0.77 MAPT (0.45) MAPTALDH1A1HPGDPOLBMCHR1
SCHEMBL3344765 0.77 POLB (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13370597 0.75 MAPT (0.58) MAPTALDH1A1MEN1KMT2AMCHR1
SCHEMBL13716211 0.75 MAPT (0.58) MAPTALDH1A1MEN1KMT2AMCHR1
SCHEMBL13973092 0.74 MAPT (0.56) MAPTALDH1A1MEN1KMT2AMCHR1
SCHEMBL3346715 0.73 HCRTR1 (0.43) MAPTKMT2APOLBMCHR1ACACB
SCHEMBL12058965 0.73 MAPT (0.49) MAPTALDH1A1KDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R MAPT 4378/4885ALDH1A1 4127/4885KDM4E 1586/4885

“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.