SCHEMBL3332840

SCHEMBL3332840

Cc1cccc(O[C@H]2CC[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
POLB P06746 5/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL3327606 0.86 ABL1 (0.45) ABL1POLBNPSR1LMNAMAPT
SCHEMBL10143875 0.80 POLB (0.52) ABL1POLBMTNR1AMTNR1BHPGD
SCHEMBL3339751 0.79 ABL1 (0.47) ABL1POLBNPSR1NAMPT
SCHEMBL10190932 0.77 MAPT (0.45) POLBNPSR1USP2HPGDRAB9A
SCHEMBL2476361 0.77 HCRTR1 (0.43) ABL1HPGD
SCHEMBL2476359 0.77 HCRTR1 (0.43) ABL1HPGD
SCHEMBL3333489 0.75 KDR (0.49) ABL1POLBNPSR1LMNAMAPT
SCHEMBL3332482 0.75 POLB (0.59) ABL1POLBMTNR1AMTNR1BNAMPT
SCHEMBL3347350 0.75 HCRTR2 (0.52) ABL1POLB
SCHEMBL3367149 0.74 ABL1 (0.50) ABL1POLBMTNR1AMTNR1BHPGD

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 ABL1 1113/4885POLB 4701/4885MTNR1A 125/4885

“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.