SCHEMBL492716

SCHEMBL492716

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)NCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 2/20 0.38
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.37
AVPR1B P47901 5/20 0.37
AVPR1A P37288 3/20 0.36
HTR4 Q13639 5/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL493512 0.93 EPHX2 (0.40) EPHX2KCNH2KMT2AHTR6AVPR1B
SCHEMBL493871 0.93 EPHX2 (0.47) EPHX2AVPR1BAVPR1AHTR4
SCHEMBL493810 0.93 AVPR1A (0.42) EPHX2KMT2AHTR6AVPR1BAVPR1A
SCHEMBL494214 0.93 EPHX2 (0.40) EPHX2KMT2AHTR6AVPR1BAVPR1A
SCHEMBL494144 0.92 EPHX2 (0.43) EPHX2KCNH2KMT2AHTR6HTR4
SCHEMBL493023 0.91 EPHX2 (0.40) EPHX2KMT2AHTR6AVPR1BAVPR1A
SCHEMBL493245 0.88 EPHX2 (0.43) EPHX2KCNH2KMT2AHTR6HTR4
SCHEMBL493076 0.87 EPHX2 (0.46) EPHX2AVPR1BAVPR1AHTR4
SCHEMBL493838 0.86 EPHX2 (0.39) EPHX2KMT2AHTR6AVPR1BAVPR1A
SCHEMBL492853 0.86 EPHX2 (0.43) EPHX2KCNH2KMT2AHTR6AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2146999-A1 BENZOFURAN- CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2010-01-27 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
WO-2008125874-A1 BENZOFURAN- CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 WO 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD EPHX2 2567/4885KCNH2 1663/4885KMT2A 1749/4885

“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.