SCHEMBL10191574

SCHEMBL10191574

CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDR P35968 4/20 0.39
BRAF P15056 3/20 0.39
AURKA O14965 2/20 0.38
LCK P06239 1/20 0.38
IGF1R P08069 1/20 0.38
EIF2AK2 P19525 1/20 0.38
SYK P43405 1/20 0.38
BMX P51813 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
SCHEMBL10191014 0.82 GNRHR (0.38) GNRHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3333489 0.75 KDR (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3321999 0.74 BRAF (0.51) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL3334090 0.73 RORC (0.43) GNRHRPOLBMAPT
SCHEMBL12058739 0.72 KMT2A (0.47) KMT2ALMNAHSD17B10POLBMAPT
SCHEMBL3327972 0.71 GNRHR (0.42) GNRHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12058972 0.71 UBE2M (0.51) GNRHRKDM4EPOLB
SCHEMBL3344755 0.70 GNRHR (0.43) GNRHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10191562 0.70 NPC1 (0.43) GNRHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10192567 0.69 GNRHR (0.44) GNRHR

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 55/4885MEN1 2176/4885KMT2A 3428/4885

“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.