SCHEMBL26314846

SCHEMBL26314846

CC(C)OCCC1CCCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
CHRM2 P08172 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD1 P21728 2/20 0.34
ADRA1A P35348 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ABCB11 O95342 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
PTGS1 P23219 1/20 0.34
ADRA1D P25100 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
SCHEMBL14032268 0.89 NCF1 (0.38) SLC6A4SLC6A2SLC6A3CHRM2CHRM1
SCHEMBL8256554 0.83
SCHEMBL23023339 0.81 CHRNB2 (0.39) SMN1; SMN2SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL2621581 0.81 CHRNB2 (0.39) SMN1; SMN2SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL9060457 0.79 CHRNB2 (0.37) SMN1; SMN2SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL12872464 0.79 NCF1 (0.43) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL20028833 0.79 NCF1 (0.35) CHRM2CHRM1CHRM3TSHRALDH1A1
SCHEMBL19477247 0.79 NCF1 (0.35) CHRM2CHRM1CHRM3TSHRALDH1A1
SCHEMBL20028304 0.79 NCF1 (0.35) CHRM2CHRM1CHRM3TSHRALDH1A1
SCHEMBL20667438 0.78 CYP1A2 (0.39) SIGMAR1

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-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 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-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE SMN1; SMN2 6/4885SLC6A4 980/4885SLC6A2 458/4885

“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.