SCHEMBL2989012

SCHEMBL2989012

CCCCOC(=O)N1C2C[CH]CC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.38
ATM Q13315 1/20 0.38
GBA2 Q9HCG7 1/20 0.37
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.36
ESR1 P03372 3/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1713220 0.90 KCNK3 (0.39) GRM5
SCHEMBL1712921 0.84 CHRM1 (0.43) GRM5
SCHEMBL12199159 0.83 LMNA (0.45) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL30387113 0.81 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL31454882 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL21219897 0.81 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL8259202 0.81 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL2995198 0.80 SLC6A3 (0.34)
SCHEMBL12086277 0.79 LMNA (0.42) SMN1; SMN2LMNAPOLBALDH1A1BCHE
SCHEMBL5317376 0.79 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBALDH1A1BCHE

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 SMN1; SMN2 3160/4885LMNA 4226/4885POLB 4573/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 SMN1; SMN2 3160/4885LMNA 4226/4885POLB 4573/4885

“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.