SCHEMBL3320460

SCHEMBL3320460

C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)cc2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.38
SHMT2 P34897 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
SCHEMBL13973092 0.79 MAPT (0.56) MAPTALDH1A1MCHR1LRRK2MEN1
SCHEMBL13370597 0.76 MAPT (0.58) MAPTALDH1A1MCHR1LRRK2MEN1
SCHEMBL13716211 0.76 MAPT (0.58) MAPTALDH1A1MCHR1LRRK2MEN1
SCHEMBL10133495 0.76 MAPT (0.52) MAPTALDH1A1MCHR1MEN1KMT2A
SCHEMBL14424173 0.76 MAPT (0.52) MAPTALDH1A1MCHR1MEN1KMT2A
SCHEMBL10114530 0.76 MAPT (0.52) MAPTALDH1A1MCHR1MEN1KMT2A
SCHEMBL10190932 0.76 MAPT (0.45) MAPTJAK2JAK1HPGDALDH1A1
SCHEMBL3367149 0.75 ABL1 (0.50) MAPTHPGDMEN1KMT2AGSK3B
SCHEMBL10114327 0.74 MAPT (0.50) MAPTALDH1A1MCHR1
SCHEMBL10133980 0.74 MAPT (0.50) MAPTALDH1A1MCHR1

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 4378/4885JAK2 344/4885JAK1 812/4885

“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.