SCHEMBL14129449

SCHEMBL14129449

CC(C)(C)OC(=O)N1CCN(CC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TERT O14746 1/20 0.48
HTT P42858 1/20 0.48
STS P08842 1/20 0.47
BACE1 P56817 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.47
P2RX7 Q99572 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL7526966 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12004666 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL25134189 0.96 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL10316948 0.90 MEN1 (0.53) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL25180666 0.90 MEN1 (0.53) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL15982318 0.90 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL25422192 0.90 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL2811174 0.90 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12004770 0.90 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL28519312 0.90 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1

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-20080181847-A1 Targeted Imaging and/or Therapy Using the Staudinger Ligation KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2008-07-31 US disclosed
US-20080181847-A1 Targeted Imaging and/or Therapy Using the Staudinger Ligation KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2008-07-31 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-20080181847-A1 Targeted Imaging and/or Therapy Using the Staudinger Ligation BTD, HLCS, BOLA2; BOLA2B CHRM2 4796/4885CHRM4 4644/4885CHRM1 4732/4885

“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.