SCHEMBL3075901

SCHEMBL3075901

O=Cc1ccc(-c2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.71
SIGMAR1 Q99720 2/20 0.71
MAOB P27338 6/20 0.60
LTA4H P09960 4/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
ACHE P22303 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAOA P21397 1/20 0.54
BCHE P06276 1/20 0.54

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
SCHEMBL3075898 0.85 TMEM97 (0.73) TMEM97SIGMAR1MAOBLTA4HSLC6A2
SCHEMBL7401534 0.84 TMEM97 (0.71) TMEM97SIGMAR1MAOBSLC6A2SLC6A4
SCHEMBL5888854 0.84 TMEM97 (1.00) TMEM97SIGMAR1MAOBLTA4HSLC6A2
Hydrochloric Acid SCHEMBL7404653 0.83 TMEM97 (0.70) TMEM97SIGMAR1MAOBSLC6A2SLC6A4
SCHEMBL7741813 0.82 TMEM97 (0.68) TMEM97SIGMAR1MAOBSLC6A2SLC6A4
SCHEMBL6302956 0.81 TMEM97 (0.82) TMEM97SIGMAR1MAOBLTA4HSLC6A2
SCHEMBL7402131 0.81 TMEM97 (0.82) TMEM97SIGMAR1MAOBLTA4HSLC6A2
SCHEMBL7404295 0.81 TMEM97 (0.82) TMEM97SIGMAR1MAOBLTA4HSLC6A2
SCHEMBL7409069 0.81 SIGMAR1 (0.82) TMEM97SIGMAR1MAOBLTA4HSLC6A2
Hydrochloric Acid SCHEMBL7408213 0.81 TMEM97 (0.82) TMEM97SIGMAR1MAOBLTA4HSLC6A2

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 16 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
WO-1996031228-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-10-10 WO 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 TMEM97 3156/4885SIGMAR1 2551/4885MAOB 3196/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 TMEM97 3839/4885SIGMAR1 3465/4885MAOB 2612/4885

“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.