Sugi Predict

Sugi Predict / Compounds / SCHEMBL492801

SCHEMBL492801

SCHEMBL492801

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ EPHX2 P34913 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADAMTS4 O75173 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC3 O15379 1/20 0.33

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
SCHEMBL492756 0.93 TRPV4 (0.39) TRPV4PTGDR2LMNAEPHX2MEN1
SCHEMBL493091 0.93 TRPV4 (0.39) TRPV4PTGDR2LMNAEPHX2MEN1
SCHEMBL493433 0.91 KMT2A (0.41) LMNAMEN1KMT2AOPRL1GPR119
SCHEMBL493009 0.89 EPHX2 (0.40) TRPV4PTGDR2LMNAEPHX2MEN1
SCHEMBL493163 0.88 CCL5 (0.41) MEN1KMT2AHTR2AHTR2CHDAC3
SCHEMBL492904 0.88 KMT2A (0.41) PTGDR2MEN1KMT2AHTR2AHTR2C
SCHEMBL492661 0.86 KMT2A (0.37) MEN1KMT2A
SCHEMBL492964 0.86 ALDH1A1 (0.36) TRPV4EPHX2MAOAACHEMAOB
SCHEMBL493902 0.86 EPHX2 (0.42) EPHX2MEN1KMT2A
SCHEMBL493220 0.86 TRPV4 (0.40) TRPV4PTGDR2LMNAEPHX2MEN1

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 8 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-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 TRPV4 217/4885PTGDR2 135/4885LMNA 2485/4885

“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.