SCHEMBL5493700

SCHEMBL5493700

NCCNC(=O)[C@H]1CCCN1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.62
HTR2C P28335 5/20 0.47
HTR2B P41595 2/20 0.47
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
TLR2 O60603 2/20 0.42
TERT O14746 1/20 0.42
HTR2A P28223 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7067527 1.00 PRCP (0.62) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL12990763 1.00 PRCP (0.62) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL5498791 0.90 PRCP (0.68) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL8548319 0.90 PRCP (0.68) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL15329272 0.89 PRCP (0.70) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL943040 0.87 PRCP (0.58) PRCPHTR2CHTR2BTLR2TERT
SCHEMBL10978548 0.87 PRCP (0.73) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL5097625 0.84 PRCP (0.64) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL21582234 0.84 PRCP (0.64) PRCPHTR2CHTR2BCCNKCDK12
SCHEMBL4578350 0.84 PRCP (0.64) PRCPHTR2CHTR2BCCNKCDK12

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 PRCP 199/4885HTR2C 4197/4885HTR2B 3401/4885

“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.