SCHEMBL5203658

SCHEMBL5203658

C=CCOC(=O)[C@H](N)CCCN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
DPP7 Q9UHL4 5/20 0.35
DPP4 P27487 3/20 0.35
CYP3A4 P08684 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
DDAH1 O94760 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
SCHEMBL5203652 1.00 GSR (0.42) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL5203643 1.00 GSR (0.42) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL369325 0.95 GSR (0.50) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL369324 0.95 GSR (0.50) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL11667283 0.95 GSR (0.50) GSRTDP1TSHRMAPTCACNA1B
Hydrochloric Acid SCHEMBL11554720 0.93 GSR (0.48) GSRTDP1TSHRMAPTCACNA1B
Hydrochloric Acid SCHEMBL11554718 0.93 GSR (0.48) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL7950462 0.89 TDP1 (0.39) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL722132 0.87 GSR (0.43) GSRTDP1TSHRMAPTCACNA1B
SCHEMBL30883910 0.84 GSR (0.46) GSRTSHRDDAH1

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
EP-1297826-A1 Nasal pharmaceutical compositions containing a NK-2 antagonist Menarini Ricerche S.p.A. (IT) 2003-04-02 EP claimed
WO-2023217589-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
WO-2023217590-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
US-20140114048-A1 Multi-Chromophoric Quencher Constructs for Use in High Sensitivity Energy Transfer Probes APPLIED BIOSYSTEMS, LLC (US) 2014-04-24 US disclosed
US-8586718-B2 Multi-chromophoric quencher constructs for use in high sensitivity energy transfer probes APPLIED BIOSYSTEMS, LLC (US) 2013-11-19 US disclosed
WO-2010096853-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2010-09-02 WO disclosed
EP-1789794-A1 MULTI-CHROMOPHORIC QUENCHER CONSTRUCTS FOR USE IN HIGH SENSITIVITY ENERGY TRANSFER PROBES Applera Corporation, Applied Biosystems Group (US) 2007-05-30 EP disclosed
WO-2006031851-A1 MULTI-CHROMOPHORIC QUENCHER CONSTRUCTS FOR USE IN HIGH SENSITIVITY ENERGY TRANSFER PROBES APPLERA CORPORATION (US) 2006-03-23 WO disclosed
US-20060063186-A1 Multi-chromophoric quencher constructs for use in high sensitivity energy transfer probes APPLERA CORPORATION (US) 2006-03-23 US disclosed
EP-1297826-A1 Nasal pharmaceutical compositions containing a NK-2 antagonist Menarini Ricerche S.p.A. (IT) 2003-04-02 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-20140114048-A1 Multi-Chromophoric Quencher Constructs for Use in High Sensitivity Energy Transfer Probes ABCG2, SLC46A1, QTRT1 GSR 362/4885TDP1 140/4885TSHR 2683/4885
US-20060063186-A1 Multi-chromophoric quencher constructs for use in high sensitivity energy transfer probes ABCG2, SLC46A1, QTRT1 GSR 520/4885TDP1 328/4885TSHR 2570/4885

“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.