SCHEMBL3334090

SCHEMBL3334090

CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
GNRHR P30968 5/20 0.42
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL10191014 0.88 GNRHR (0.38) RORCGNRHRMAPTPOLB
SCHEMBL12058648 0.75 KMT2A (0.47) MAPTPOLB
SCHEMBL3345789 0.74 MAPT (0.42) MAPTPOLBABL1
SCHEMBL10191574 0.73 GNRHR (0.39) GNRHRMAPTPOLB
SCHEMBL10192567 0.73 GNRHR (0.44) GNRHR
SCHEMBL10191562 0.70 NPC1 (0.43) GNRHRMAPTPOLB
SCHEMBL10190995 0.69 GNRHR (0.43) GNRHRMAPT
SCHEMBL24190442 0.68 FPR2 (0.44)
SCHEMBL3327972 0.68 GNRHR (0.42) GNRHRMAPT
SCHEMBL3344755 0.67 GNRHR (0.43) 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 RORC 1083/4885GNRHR 55/4885MAPT 4378/4885

“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.