SCHEMBL21111477

SCHEMBL21111477

CCC(C)C(N)C(C)CCCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL19926761 1.00 ALDH1A1 (0.33) ALDH1A1OPRM1SMN1; SMN2SPHK1TRPV1
SCHEMBL1052850 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL17339702 0.79 OPRM1 (0.32) ALDH1A1OPRM1SPHK1TRPV1TRPA1
SCHEMBL2066948 0.77 ALDH1A1 (0.35) ALDH1A1OPRM1
SCHEMBL5269000 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL21118226 0.75 METAP1 (0.43) ALDH1A1OPRM1SPHK1
SCHEMBL3988178 0.75
SCHEMBL9720187 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11327617 0.73 TRPV1 (0.33) ALDH1A1TRPV1TRPA1
Fluoride SCHEMBL11473571 0.73 TRPV1 (0.33) ALDH1A1TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077606-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2024-09-03 US disclosed
US-20220227808-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC 2022-07-21 US disclosed
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 US disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 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 (4 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-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR ALDH1A1 4327/4885OPRM1 2150/4885SMN1; SMN2 3403/4885
US-11254705-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR ALDH1A1 4327/4885OPRM1 2150/4885SMN1; SMN2 3403/4885
US-12077606-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR ALDH1A1 4327/4885OPRM1 2150/4885SMN1; SMN2 3403/4885
US-20220227808-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR ALDH1A1 4327/4885OPRM1 2150/4885SMN1; SMN2 3403/4885

“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.