SCHEMBL2098908

SCHEMBL2098908

CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL2098910 1.00 CXCR6 (0.46) CXCR6MRGPRX4KMT2AL3MBTL1DRD2
SCHEMBL10287658 0.93 KMT2A (0.44) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL1116628 0.86 OPRK1 (0.51) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL1116626 0.86 OPRK1 (0.51) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL2612637 0.85 CXCR6 (0.46) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL2098131 0.84 KDM1A (0.42) MRGPRX4KMT2AMAPT
SCHEMBL2098129 0.84 KDM1A (0.42) MRGPRX4KMT2AMAPT
SCHEMBL1117092 0.82 CXCR6 (0.47) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL1117088 0.82 CXCR6 (0.47) CXCR6KMT2AL3MBTL1DRD2MEN1
SCHEMBL13690838 0.80 MRGPRX4 (0.40) MRGPRX4KMT2AL3MBTL1MEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 CXCR6 3304/4885MRGPRX4 2072/4885KMT2A 2538/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 CXCR6 3978/4885MRGPRX4 2875/4885KMT2A 1907/4885

“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.