SCHEMBL14445313

SCHEMBL14445313

NC(=O)OCCNCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTR1A P08908 1/20 0.40
CHRNA7 P36544 1/20 0.40
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CD274 Q9NZQ7 2/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL23045236 0.91 LMNA (0.46) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28980314 0.87 CHRM2 (0.38) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28883097 0.87 LMNA (0.39) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL18116052 0.82 LMNA (0.41) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1246711 0.82 CA12 (0.46) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL26103979 0.81 SMN1; SMN2 (0.39) TSHRCHRNB2CHRNA4LMNACYP2C19
SCHEMBL20094988 0.80 ALOX15 (0.46) TSHRCHRM2CHRM4CHRM5CHRM1
Diethanolamine SCHEMBL4612680 0.80 ALOX15 (0.65) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL9817079 0.79 SMN1; SMN2 (0.41) TSHRCHRNB2CHRNA4LMNACYP2C19
SCHEMBL28356069 0.78 LMNA (0.39) TSHRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191263-A1 Valency platform molecules comprising aminooxy groups LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-08-16 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-20070191263-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 TSHR 4451/4885CHRM2 4436/4885CHRM4 4222/4885

“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.