SCHEMBL13510860

SCHEMBL13510860

CC(C)(C)CCCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCCC(C)(C)C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KCNH2 Q12809 5/20 0.36
▸ CACNA1I Q9P0X4 5/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NAAA Q02083 1/20 0.34

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
SCHEMBL19036251 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KCNH2CACNA1ICHRM1CHRM2
SCHEMBL15138014 0.93 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2CACNA1ICHRM1CHRM2
SCHEMBL13510873 0.92 SMN1; SMN2 (0.34) SMN1; SMN2KCNH2CACNA1ICHRM1CHRM2
SCHEMBL19036161 0.90 HRH1 (0.41) SMN1; SMN2KCNH2CHRM1CHRM2CHRM4
SCHEMBL12650304 0.86 SMN1; SMN2 (0.36) SMN1; SMN2KCNH2CACNA1ICHRM1CHRM2
SCHEMBL10036917 0.86 HRH1 (0.45) SMN1; SMN2KCNH2CHRM1CHRM2CHRM4
SCHEMBL13510862 0.85 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2CACNA1ICHRM1CHRM2
SCHEMBL10036916 0.85 CHRM1 (0.44) SMN1; SMN2CHRM1CHRM2CHRM4HTR1A
SCHEMBL18717218 0.85 HRH3 (0.36) SMN1; SMN2CHRM1CHRM2CHRM4HTR1A
SCHEMBL420320 0.85 CHRM1 (0.46) SMN1; SMN2CHRM1CHRM2CHRM4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017117188-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-06 — — WO disclosed
US-20170181981-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-06-29 — — US disclosed
WO-2010021973-A2 CONTROLLED DELIVERY OF BIOACTIVE AGENTS FROM DECOMPOSABLE FILMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-25 — — WO 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-20170181981-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS PLOD3, CUTA, SLC6A2 SMN1; SMN2 1047/4885KCNH2 3652/4885CACNA1I 3920/4885

“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.

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