SCHEMBL1713612

SCHEMBL1713612

CCCOC(=O)N1C[CH]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
PDE4B Q07343 1/20 0.38
TSHR P16473 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRD1 P41143 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3950479 0.90 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAPDE4BTSHR
SCHEMBL856186 0.90 SMN1; SMN2 (0.55) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL1713157 0.89 POLB (0.49) SMN1; SMN2POLBLMNAPDE4BTSHR
SCHEMBL11120122 0.88 LMNA (0.50) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL1712987 0.87 TSHR (0.48) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL1713425 0.83 SMN1; SMN2 (0.44) SMN1; SMN2POLBLMNAPDE4BTSHR
SCHEMBL9989166 0.80 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNATSHRSMYD3
SCHEMBL574934 0.79 SMN1; SMN2 (0.63) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL5711411 0.78 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL18725998 0.77 GPR119 (0.34) SMN1; SMN2POLBLMNATSHRALDH1A1

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-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US claimed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP claimed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO claimed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 SMN1; SMN2 1813/4885POLB 4742/4885LMNA 3546/4885

“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.