SCHEMBL1964444

SCHEMBL1964444

O=C1CCC(=O)N1CCCN1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.50
CHRM4 P08173 8/20 0.50
CHRM5 P08912 8/20 0.50
CHRM1 P11229 8/20 0.50
CHRM3 P20309 8/20 0.50
HRH3 Q9Y5N1 3/20 0.50
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 6/20 0.47
HRH1 P35367 1/20 0.45
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL888672 0.82 MEN1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17525714 0.81 ADRA1B (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9470544 0.80 KEAP1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17525730 0.78 ADRA1B (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6946433 0.78 HRH3 (0.55) HRH3HRH1CYP1A2MAPK1SMN1; SMN2
SCHEMBL1961510 0.78 MGLL (0.58) HRH3HRH1MAPK1SMN1; SMN2
SCHEMBL13606455 0.78 MGLL (0.58) HRH3HRH1MAPK1SMN1; SMN2
SCHEMBL5592224 0.77 MEN1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11353066 0.77 HRH3 (0.54) HRH3HRH1CYP1A2MAPK1SMN1; SMN2
SCHEMBL8829446 0.77 FAAH (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3

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-8426609-B2 Polymers functionalized with imide compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-04-23 US disclosed
US-20110144282-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-06-16 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-20110144282-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP PARG, PIN1, NPEPPS CHRM2 4095/4885CHRM4 3674/4885CHRM5 3835/4885

“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.