SCHEMBL3344765

SCHEMBL3344765

N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL10192288 0.84 EPHX2 (0.46) POLBABL1SMN1; SMN2MEN1MAPT
SCHEMBL10143875 0.83 POLB (0.52) POLBABL1SMN1; SMN2MEN1MAPT
SCHEMBL12058891 0.79 HSD11B1 (0.53) POLBSMN1; SMN2MAPTKMT2AGAA
SCHEMBL3347350 0.77 HCRTR2 (0.52) POLBABL1
SCHEMBL2474740 0.77 EPHX2 (0.44) ABL1SMN1; SMN2KMT2AKDM4EGAA
SCHEMBL2474743 0.77 EPHX2 (0.44) ABL1SMN1; SMN2KMT2AKDM4EGAA
SCHEMBL3367450 0.77 MAPT (0.44) POLBSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3332482 0.76 POLB (0.59) POLBABL1MEN1MAPTKMT2A
SCHEMBL12058657 0.75 HSD11B1 (0.49) POLBMAPTKMT2AGAAALDH1A1
SCHEMBL28011388 0.74 EPHX2 (0.45) MEN1KMT2AKDM4EALDH1A1

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 POLB 4701/4885ABL1 1113/4885SMN1; SMN2 3300/4885

“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.