SCHEMBL1713264

SCHEMBL1713264

CCOC(=O)N1CCC[CH]CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
GAA P10253 5/20 0.49
MAPT P10636 3/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL1713325 0.96 TSHR (0.50) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1069568 0.89 TSHR (0.46) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL293394 0.88 TSHR (0.57) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL3635136 0.85 TSHR (0.63) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL2745877 0.85
SCHEMBL2223429 0.85 TSHR (0.63) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1713425 0.84 SMN1; SMN2 (0.44) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1292196 0.83 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL19031025 0.83 TSHR (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT
SCHEMBL8710504 0.83 ALDH1A1 (0.61) TSHRALDH1A1POLBSMN1; SMN2HTT

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
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

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 TSHR 84/4885ALDH1A1 1221/4885POLB 4742/4885

“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.