SCHEMBL2990830

SCHEMBL2990830

O=C(c1ccccc1)N1C2C[CH]CC1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.42
KMT2A Q03164 2/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
RIPK1 Q13546 1/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL14172576 0.80 CHRNB2 (0.56) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL21162194 0.80 ELOVL6 (0.53) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL18151944 0.80 ELOVL6 (0.47) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL18151912 0.80 ELOVL6 (0.47) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL18151913 0.79 ELOVL6 (0.52) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
Hydrochloric Acid SCHEMBL27153138 0.79 CHRNB2 (0.54) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL699162 0.76 CHRNB2 (0.56) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL19013662 0.75 KDM4E (0.45) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL19013710 0.75 PIK3CD (0.44) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E
SCHEMBL7459191 0.75 ELOVL6 (0.49) ELOVL6L3MBTL3L3MBTL1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US claimed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP claimed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US claimed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO claimed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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 (2 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 ELOVL6 3163/4885L3MBTL3 4115/4885L3MBTL1 3847/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 ELOVL6 3163/4885L3MBTL3 4115/4885L3MBTL1 3847/4885

“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.