SCHEMBL10191014

SCHEMBL10191014

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.38
RORC P51449 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.37
KDR P35968 3/20 0.37
LMNA P02545 1/20 0.36
BRAF P15056 2/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL3334090 0.88 RORC (0.43) GNRHRRORCMAPTPOLB
SCHEMBL10191574 0.82 GNRHR (0.39) GNRHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10192288 0.77 EPHX2 (0.46) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL3347288 0.76 BRAF (0.44) MEN1KMT2AMAPTPOLBKDR
SCHEMBL12058648 0.73 KMT2A (0.47) KMT2AMAPTPOLBLMNA
SCHEMBL10192567 0.71 GNRHR (0.44) GNRHR
SCHEMBL10191562 0.70 NPC1 (0.43) GNRHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12058739 0.70 KMT2A (0.47) KMT2AMAPTPOLBLMNA
SCHEMBL12058972 0.69 UBE2M (0.51) GNRHRPOLB
SCHEMBL3327972 0.66 GNRHR (0.42) GNRHRMEN1KMT2ASMN1; SMN2MAPT

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 55/4885RORC 1083/4885MEN1 2176/4885

“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.