SCHEMBL493512

SCHEMBL493512

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)NCCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
HTR4 Q13639 4/20 0.37
AVPR1B P47901 6/20 0.37
KMT2A Q03164 1/20 0.36
AVPR1A P37288 4/20 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
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL493076 0.94 EPHX2 (0.46) EPHX2HTR4AVPR1BAVPR1A
SCHEMBL492716 0.93 EPHX2 (0.41) EPHX2HTR4AVPR1BKMT2AAVPR1A
SCHEMBL492853 0.93 EPHX2 (0.43) EPHX2HTR4AVPR1BKMT2AALDH1A1
SCHEMBL493838 0.93 EPHX2 (0.39) EPHX2HTR4AVPR1BKMT2AAVPR1A
SCHEMBL493023 0.89 EPHX2 (0.40) EPHX2HTR4AVPR1BKMT2AAVPR1A
SCHEMBL493648 0.88 EPHX2 (0.42) EPHX2AVPR1BKMT2AALDH1A1CYP1A2
SCHEMBL494144 0.88 EPHX2 (0.43) EPHX2HTR4KMT2AHTR6KCNH2
SCHEMBL493871 0.87 EPHX2 (0.47) EPHX2HTR4AVPR1BAVPR1A
SCHEMBL493636 0.87 EPHX2 (0.50) EPHX2HTR4KMT2AAVPR1AGAA
SCHEMBL493810 0.87 AVPR1A (0.42) EPHX2HTR4AVPR1BKMT2AAVPR1A

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US 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

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 2567/4885HTR4 1876/4885AVPR1B 780/4885

“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.