SCHEMBL3345789

SCHEMBL3345789

C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@H](C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
AR P10275 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL3367450 0.88 MAPT (0.44) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3347288 0.87 BRAF (0.44) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3346715 0.80 HCRTR1 (0.43) MAPTKMT2APOLBMCHR1LMNA
SCHEMBL3334090 0.74 RORC (0.43) MAPTPOLBABL1
SCHEMBL13370597 0.73 MAPT (0.58) MAPTMEN1ALDH1A1KMT2AMCHR1
SCHEMBL13716211 0.73 MAPT (0.58) MAPTMEN1ALDH1A1KMT2AMCHR1
SCHEMBL12058965 0.72 MAPT (0.49) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL10190932 0.72 MAPT (0.45) MAPTALDH1A1HPGDPOLBMCHR1
SCHEMBL13973092 0.72 MAPT (0.56) MAPTMEN1ALDH1A1KMT2AMCHR1
SCHEMBL12059137 0.71 POLB (0.52) MAPTKDM4EALDH1A1KMT2AHSD17B10

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 4378/4885KDM4E 1586/4885MEN1 2176/4885

“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.