SCHEMBL3557442

SCHEMBL3557442

CC(C)(C)OC(=O)CNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GRIN2B Q13224 3/20 0.49
STS P08842 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47

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
SCHEMBL1827201 0.91 HTT (0.57) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL19001215 0.85 SMN1; SMN2 (0.62) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28709400 0.85 HTT (0.53) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28709401 0.85 HTT (0.53) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2855372 0.85 KDM4E (0.57) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL951538 0.84 KMT2A (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL304546 0.84 SMN1; SMN2 (0.58) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL21306841 0.83 HTT (0.52) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7355109 0.83 KMT2A (0.54) HTTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL13158302 0.83 HTT (0.64) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 HTT 1624/4885SMN1; SMN2 3430/4885NPC1 2252/4885

“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.