SCHEMBL10190995

SCHEMBL10190995

CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4cccc(Cl)n4)CC3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 5/20 0.43
ACKR3 P25106 3/20 0.43
GRM4 Q14833 1/20 0.39
MAPT P10636 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
SCHEMBL3327972 0.84 GNRHR (0.42) GNRHRMAPT
SCHEMBL10191562 0.84 NPC1 (0.43) GNRHRACKR3MAPT
SCHEMBL3344755 0.78 GNRHR (0.43) GNRHRMAPT
SCHEMBL10192567 0.72 GNRHR (0.44) GNRHR
SCHEMBL3345417 0.70 SHMT2 (0.34) GNRHR
SCHEMBL7944353 0.70 CNR2 (0.54) ACKR3
SCHEMBL3344983 0.70 ACKR3 (0.47) ACKR3MAPT
SCHEMBL3334090 0.69 RORC (0.43) GNRHRMAPT
SCHEMBL2601694 0.69 NPY5R (0.41) GNRHRMAPT
SCHEMBL2601692 0.69 TP53 (0.40) GNRHRMAPT

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 55/4885ACKR3 159/4885GRM4 918/4885

“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.