SCHEMBL10192567

SCHEMBL10192567

CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4ccc(C#N)cn4)CC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.44
IRAK4 Q9NWZ3 5/20 0.43
CCNK O75909 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCR6 P51684 1/20 0.39
DPP4 P27487 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
KIT P10721 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
SCHEMBL3344755 0.80 GNRHR (0.43) GNRHR
SCHEMBL10191562 0.75 NPC1 (0.43) GNRHR
SCHEMBL3327972 0.74 GNRHR (0.42) GNRHR
SCHEMBL12058648 0.73 KMT2A (0.47)
SCHEMBL3334090 0.73 RORC (0.43) GNRHR
SCHEMBL10190995 0.72 GNRHR (0.43) GNRHR
SCHEMBL10191014 0.71 GNRHR (0.38) GNRHR
SCHEMBL18838986 0.70 USP30 (0.54) IRAK4EGLN2
SCHEMBL3325879 0.70 DPP4 (0.52) IRAK4CCNKCDK12CCNA2CDK2
SCHEMBL3326230 0.70 DPP4 (0.52) IRAK4CCNKCDK12CCNA2CDK2

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 55/4885IRAK4 2733/4885CCNK 3114/4885

“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.