SCHEMBL2098129

SCHEMBL2098129

CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
HSD11B1 P28845 2/20 0.39
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
AR P10275 1/20 0.36
EPHX2 P34913 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRM5 P41594 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSD11B2 P80365 1/20 0.35

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
SCHEMBL2098131 1.00 KDM1A (0.42) KDM1AHSD11B1KMT2AF10SUV39H2
SCHEMBL13415855 0.93 KDM1A (0.42) KDM1AHSD11B1KMT2ACHRM1GRM5
SCHEMBL2620564 0.93 KDM1A (0.42) KDM1AHSD11B1SUV39H2MRGPRX4HCRTR1
SCHEMBL1117119 0.87 KMT2A (0.39) HSD11B1KMT2ASUV39H2MAPTCHRM1
SCHEMBL1117123 0.87 KMT2A (0.39) HSD11B1KMT2ASUV39H2MAPTCHRM1
SCHEMBL2612630 0.85 KMT2A (0.37) HSD11B1KMT2ASUV39H2MAPTCHRM1
SCHEMBL2098908 0.84 CXCR6 (0.46) KMT2AMAPTMRGPRX4
SCHEMBL2098910 0.84 CXCR6 (0.46) KMT2AMAPTMRGPRX4
SCHEMBL1117107 0.83 KMT2A (0.41) KDM1AHSD11B1KMT2ASUV39H2MAPT
SCHEMBL1117104 0.83 KMT2A (0.41) KDM1AHSD11B1KMT2ASUV39H2MAPT

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 KDM1A 598/4885HSD11B1 1/4885KMT2A 2538/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 KDM1A 780/4885HSD11B1 1/4885KMT2A 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.