SCHEMBL3333820

SCHEMBL3333820

O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
GSK3B P49841 1/20 0.46
ABL1 P00519 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
DGAT1 O75907 2/20 0.41
F10 P00742 1/20 0.41
ACKR3 P25106 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL3341742 0.90 MAPK1 (0.46) MAPTGSK3BABL1F10ACKR3
SCHEMBL3362758 0.89 ABL1 (0.52) MAPTGSK3BABL1ADORA3ADORA2A
SCHEMBL3347092 0.88 NPC1 (0.47) MAPTDGAT1KMT2ANPC1RAB9A
SCHEMBL10192549 0.81 HTT (0.50) MAPTABL1TSHRKMT2ANPC1
SCHEMBL3334156 0.79 EPHX1 (0.46) KMT2ANPC1RAB9A
SCHEMBL3327579 0.78 PTPN2 (0.51) ADORA3ADORA2AADORA1TSHRNPC1
SCHEMBL10192285 0.76 NPY5R (0.49)
SCHEMBL3343347 0.74 JAK2 (0.48) ABL1TSHR
SCHEMBL14108403 0.74 MLLT1 (0.47) TSHRKMT2ANPC1RAB9A
SCHEMBL3320027 0.74 ABL1 (0.46) MAPTGSK3BABL1F10TSHR

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 4378/4885GSK3B 3052/4885ABL1 1113/4885

“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.