SCHEMBL23029720

SCHEMBL23029720

CCC(C)(C)CC(C)(C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 2/20 0.39
AHR P35869 1/20 0.36
KCNH2 Q12809 2/20 0.35
NR1I2 O75469 1/20 0.35
NMBR P28336 1/20 0.35
GRPR P30550 1/20 0.35
BRS3 P32247 1/20 0.35
ALDH1A1 P00352 3/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4728011 0.84 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2AHRKCNH2
SCHEMBL23029668 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM2KCNH2ALDH1A1
SCHEMBL21883522 0.79 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1CHRM2AHRALDH1A1
SCHEMBL13330624 0.78 CHRM2 (0.49) SMN1; SMN2L3MBTL1CHRM2KCNH2ALDH1A1
SCHEMBL18427298 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM2KCNH2ALDH1A1
SCHEMBL24737687 0.76 CYP19A1 (0.37) BRS3CYP2D6
SCHEMBL24977021 0.76 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM2AHRKCNH2
SCHEMBL19307846 0.76
SCHEMBL13100469 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2AHRKCNH2
SCHEMBL1478334 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2AHRKCNH2

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
US-20230150921-A1 PHENOLIC ACID LIPID BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2023-05-18 US disclosed
WO-2023278754-A1 COMPOSITIONS FOR DELIVERY OF MRNA TRANSLATE BIO, INC. (US) 2023-01-05 WO disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 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-20230150921-A1 PHENOLIC ACID LIPID BASED CATIONIC LIPIDS SLC27A1, SREBF1, SREBF2 SMN1; SMN2 2738/4885L3MBTL1 1302/4885CHRM2 4819/4885

“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.