SCHEMBL5497576

SCHEMBL5497576

NCCC[N]C(=O)C(N)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
CYP1A2 P05177 2/20 0.31
TSHR P16473 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL5499164 0.85 GSR (0.47) GSRCYP1A2TSHRBLMKMT2A
SCHEMBL6862207 0.85 GSR (0.47) GSRCYP1A2TSHRBLMKMT2A
SCHEMBL5497619 0.85 GSR (0.42) GSRCYP1A2TSHRGABRR1KMT2A
SCHEMBL6431464 0.85 GSR (0.47) GSRCYP1A2TSHRBLMKMT2A
SCHEMBL5501937 0.83 GSR (0.55) GSRCYP1A2TSHRBLMNFKB1
SCHEMBL5502056 0.69 GNAI3 (0.60) GSR
SCHEMBL5502052 0.69 GNAI3 (0.60) GSR
SCHEMBL6431706 0.67 GGT1 (0.34)
Diaminopropanoic Acid SCHEMBL22658420 0.67 GSR (0.62) GSRCYP1A2TSHRGABRR3GABRP
SCHEMBL6431598 0.66 CPB2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 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 (1 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-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 GSR 4171/4885CYP1A2 4656/4885TSHR 1432/4885

“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.