SCHEMBL493363

SCHEMBL493363

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL492624 0.93 NPC1 (0.44) NPC1LMNATSHRNPSR1L3MBTL1
SCHEMBL493162 0.93 POLB (0.39) LMNATSHRKMT2AALDH1A1HCRTR1
SCHEMBL493522 0.93 FKBP1A (0.41) KMT2AALDH1A1HCRTR1HCRTR2HPGD
SCHEMBL492503 0.93 FKBP1A (0.41) NPC1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL492845 0.91 NPC1 (0.50) NPC1LMNATSHRNPSR1L3MBTL1
SCHEMBL493702 0.90 ALDH1A1 (0.41) NPC1LMNATSHRNPSR1KMT2A
SCHEMBL492536 0.90 HTR7 (0.38) NPC1TSHRKMT2AHCRTR1HCRTR2
SCHEMBL492981 0.89 NPC1 (0.47) NPC1LMNATSHRNPSR1L3MBTL1
SCHEMBL493307 0.88 LMNA (0.42) NPC1CYP2C9CYP2C19LMNATSHR
SCHEMBL492998 0.88 HTR7 (0.40) TSHRKMT2AHCRTR1HCRTR2SMN1; SMN2

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 NPC1 519/4885CYP3A4 465/4885CYP2C9 200/4885

“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.