SCHEMBL3331408

SCHEMBL3331408

CC(C)n1ncc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 4/20 0.41
USP36 Q9P275 1/20 0.38
RIPK2 O43353 1/20 0.37
ABL1 P00519 1/20 0.37
ACLY P53396 1/20 0.36
ACKR3 P25106 1/20 0.36
PTGER3 P43115 1/20 0.35

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
SCHEMBL3327972 0.80 GNRHR (0.42) GNRHR
SCHEMBL3334156 0.74 EPHX1 (0.46)
SCHEMBL3347092 0.73 NPC1 (0.47)
SCHEMBL3345417 0.71 SHMT2 (0.34) GNRHRRIPK2
SCHEMBL10192549 0.71 HTT (0.50) ABL1
SCHEMBL3327579 0.70 PTPN2 (0.51)
SCHEMBL14108403 0.70 MLLT1 (0.47)
Hydrochloric Acid SCHEMBL28847292 0.69 MLLT1 (0.46)
SCHEMBL3333820 0.69 MAPT (0.46) ABL1ACKR3
SCHEMBL3343347 0.69 JAK2 (0.48) ABL1

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 GNRHR 55/4885USP36 4436/4885RIPK2 2368/4885

“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.