SCHEMBL1509889

SCHEMBL1509889

CC(CNC(=N)N)C(C)(C)[C@@](C)(C(=O)O)N(C)S(=O)(=O)C1CCc2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
SSTR4 P31391 1/20 0.34
CYP2D6 P10635 2/20 0.32
OPRK1 P41145 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
SLC8A1 P32418 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
SCHEMBL1509783 0.91 CYP2D6 (0.30) CYP2D6OPRK1
SCHEMBL27228693 0.73 MMP2 (0.44) CA2
SCHEMBL4297055 0.73 MMP2 (0.44) CA2
SCHEMBL7262682 0.71 KEAP1 (0.43)
SCHEMBL6591968 0.67 CA2 (0.44) CA2SSTR4CYP2D6OPRK1
SCHEMBL8650317 0.64 CA2 (0.49) CA2SSTR4HTR1AHTR1D
Acetic Acid SCHEMBL27984668 0.63 CA2 (0.44) CA2SSTR4CYP2D6OPRK1HTR1A
SCHEMBL8650215 0.62 CA2 (0.46) CA2SSTR4HTR1AHTR1D
SCHEMBL6591970 0.61 CA2 (0.45) CA2SSTR4HTR1AHTR1D
SCHEMBL6464770 0.61 CA2 (0.49) CA2SSTR4HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897721-B2 Cyclic peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2011-03-01 US disclosed
US-7795378-B2 Peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2010-09-14 US disclosed
US-20100121027-A1 Cyclic Peptide Compositions for Treatment of Sexual Dysfunction PALATIN TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-7473760-B2 Cyclic peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2009-01-06 US disclosed
US-7176279-B2 Cyclic peptide compositions and methods for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2007-02-13 US disclosed
EP-1667700-A2 CYCLIC PEPTIDE COMPOSITIONS AND METHODS FOR TREATMENT OF SEXUAL DYSFUNCTION Palatin Technologies, Inc. (US) 2006-06-14 EP disclosed
US-20060111281-A1 Cyclic peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2006-05-25 US disclosed
US-20050124553-A1 Peptide compositions for treatment of sexual dysfunction PALATINE TECHNOLOGIES, INC. (US) 2005-06-09 US disclosed
WO-2005014617-A2 CYCLIC PEPTIDE COMPOSITIONS AND METHODS FOR TREATMENT OF SEXUAL DYSFUNCTION PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 WO disclosed
WO-2004005324-A2 PEPTIDE COMPOSITION FOR TREATMENT OF SEXUAL DYSFUNCTION PALATIN TECHNOLOGIES, INC. (US) 2004-01-15 WO 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 (3 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-20060111281-A1 Cyclic peptide compositions for treatment of sexual dysfunction VIP, GNRHR, NPR1 CA2 3558/4885SSTR4 107/4885CYP2D6 4277/4885
US-20050124553-A1 Peptide compositions for treatment of sexual dysfunction RXFP1, EDNRB, EDNRA CA2 2712/4885SSTR4 45/4885CYP2D6 3792/4885
US-20100121027-A1 Cyclic Peptide Compositions for Treatment of Sexual Dysfunction VIP, GNRHR, NPR1 CA2 3558/4885SSTR4 107/4885CYP2D6 4277/4885

“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.