SCHEMBL3078121

SCHEMBL3078121

CCCCCCN1CCC(CCOc2ccc(-c3ccc(C=O)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.49
LTA4H P09960 1/20 0.46
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL3078119 0.86 HRH3 (0.51) HRH3LTA4HHRH2HRH1
SCHEMBL7322766 0.85 HRH3 (0.65) HRH3LTA4HHRH1
Hydrochloric Acid SCHEMBL9528804 0.84 HRH3 (0.64) HRH3LTA4HHRH1
SCHEMBL7738905 0.84 HRH2 (0.55) HRH3HRH2HRH1
SCHEMBL7324659 0.82 MEN1 (0.59) HRH3LTA4H
SCHEMBL7324710 0.81 HRH3 (0.51) HRH3LTA4HMAOB
Hydrochloric Acid SCHEMBL9528529 0.81 MEN1 (0.58) HRH3LTA4H
SCHEMBL7321964 0.80 HRH3 (0.64) HRH3
SCHEMBL7317615 0.80 ALDH1A1 (0.59) HRH3LTA4H
Hydrochloric Acid SCHEMBL9532080 0.80 MAPK1 (0.52) HRH3LTA4HMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2005-08-18 US disclosed
US-6916784-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2005-07-12 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-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2003-11-27 US disclosed
EP-0744405-B1 Cyclic peptide antifungal agents LILLY CO ELI (US) 2003-07-16 EP disclosed
EP-0736541-B1 Cyclic hexapeptide antifungal agents LILLY CO ELI (US) 2002-11-27 EP disclosed
US-6384013-B1 HETEROCYCLIC PEPTIDE FUNGICIDES ELI LILLY AND COMPANY 2002-05-07 US disclosed
US-5965525-A FOR INHIBITING FUNGAL AND PARASITIC ACTIVITIES ELI LILLY AND COMPANY (US) 1999-10-12 US disclosed
US-5652213-A CYCLIC HEXAPEPTIDE FUNGICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1997-07-29 US disclosed
US-5646111-A Cyclic peptide antifungal Agents ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1996037510-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-11-28 WO disclosed
EP-0744405-A2 Cyclic peptide antifungal agents ELI LILLY AND COMPANY (US) 1996-11-27 EP disclosed
EP-0736541-A1 Cyclic hexapeptide antifungal agents ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 EP 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-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, HM13, PTMS HRH3 14/4885LTA4H 2129/4885HRH2 24/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 HRH3 9/4885LTA4H 2378/4885HRH2 24/4885

“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.