SCHEMBL4154534

SCHEMBL4154534

O=C(N[C@H]1CCCN(c2ccc(OCc3ccccc3)cc2)C1)C12CC3CC(C1)C(O)C(C3)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
ACACB O00763 1/20 0.41
IDH1 O75874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL4148781 0.87 CNR1 (0.48) KMT2ASMN1; SMN2RAB9ACNR1
SCHEMBL4138523 0.83 HPGD (0.42) KMT2ASMN1; SMN2RAB9ACNR1
SCHEMBL4003108 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ACACBFFAR4
SCHEMBL4139878 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ACACBFFAR4
SCHEMBL3999611 0.83 LMNA (0.39) KMT2ASMN1; SMN2CNR2FFAR4NPC1
SCHEMBL3999607 0.83 LMNA (0.39) KMT2ASMN1; SMN2CNR2FFAR4NPC1
SCHEMBL28769937 0.82 HSD11B1 (0.37) KMT2ASMN1; SMN2RAB9ACNR1
SCHEMBL5950205 0.82 ACACB (0.39) KMT2AACACBRAB9ACNR1
SCHEMBL4004158 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ACACBFFAR4
SCHEMBL4149415 0.82 EPHX1 (0.43) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 EPHX2 788/4885KDM4E 3505/4885KMT2A 3418/4885

“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.