SCHEMBL7733573

SCHEMBL7733573

CCN1CCC(C2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.40
GNAI3 P08754 4/20 0.39
GNAO1 P09471 4/20 0.39
GNAI1 P63096 4/20 0.39
SLC18A3 Q16572 1/20 0.39
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL24891256 0.98 HSD11B1 (0.46) HSD11B1SMN1; SMN2ALDH1A1ACHEGNAI3
SCHEMBL13548814 0.97 SMN1; SMN2 (0.45) HSD11B1SMN1; SMN2ALDH1A1ACHEGNAI3
SCHEMBL6921678 0.87 SMN1; SMN2 (0.48) HSD11B1SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL22819552 0.87 SMN1; SMN2 (0.48) HSD11B1SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL13848576 0.86 HTR7 (0.41) HSD11B1SMN1; SMN2ALDH1A1GNAI3GNAO1
SCHEMBL13848547 0.86 HTR7 (0.41) HSD11B1SMN1; SMN2ALDH1A1GNAI3GNAO1
SCHEMBL8369139 0.86 HTR7 (0.41) HSD11B1SMN1; SMN2ALDH1A1GNAI3GNAO1
SCHEMBL17547032 0.86 HTR7 (0.41) HSD11B1SMN1; SMN2ALDH1A1GNAI3GNAO1
SCHEMBL19117547 0.86 HTR7 (0.41) HSD11B1SMN1; SMN2ALDH1A1GNAI3GNAO1
SCHEMBL11919055 0.82 GNAI3 (0.52) HSD11B1SMN1; SMN2GNAI3GNAO1GNAI1

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-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 US disclosed
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-12-22 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 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 (2 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-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 HSD11B1 1083/4885SMN1; SMN2 4810/4885ALDH1A1 3309/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G HSD11B1 290/4885SMN1; SMN2 4499/4885ALDH1A1 4834/4885

“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.