SCHEMBL7018944

SCHEMBL7018944

CCCCOC(=O)N1CCC(N2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.59
CHRM2 P08172 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
CHRM3 P20309 2/20 0.43
S1PR5 Q9H228 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 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
SCHEMBL355693 0.92 SMN1; SMN2 (0.58) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL14810258 0.87 CHRM1 (0.76) CHRM1CHRM2SMN1; SMN2TP53TDP1
Isonipecotic Acid SCHEMBL7473381 0.84 SMN1; SMN2 (0.50) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL28253726 0.83 SMN1; SMN2 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL14159621 0.83 SMN1; SMN2 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL2345851 0.83 SMN1; SMN2 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL4474676 0.83 CHRM1 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL11578382 0.82 GAA (0.56) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL3310701 0.82 SMN1; SMN2 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL14964905 0.82 CHRM1 (0.68) CHRM1CHRM2SMN1; SMN2TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH CHRM1 1840/4885CHRM2 1953/4885SMN1; SMN2 3830/4885

“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.