SCHEMBL1401532

SCHEMBL1401532

NCCC(C(=O)O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
GABRR1 P24046 2/20 0.36
OPRD1 P41143 2/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8310688 0.86 SIGMAR1 (0.41) SIGMAR1OPRD1SLC6A4
SCHEMBL8387444 0.86 GSR (0.42) SIGMAR1
SCHEMBL2764645 0.85 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4
SCHEMBL7842583 0.84 SIGMAR1 (0.38) SIGMAR1OPRD1
SCHEMBL28478812 0.83 SIGMAR1 (0.39) SIGMAR1OPRD1SLC6A4
SCHEMBL29004649 0.81 SIGMAR1 (0.48) SIGMAR1SLC6A4
SCHEMBL30598638 0.81 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4
SCHEMBL28335967 0.81 CYP1A2 (0.41) SIGMAR1OPRD1
SCHEMBL25415951 0.80 CYP1A2 (0.39) SIGMAR1OPRD1
SCHEMBL7883626 0.80 CYP1A2 (0.39) SIGMAR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 US claimed
US-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof DANHO WALEED 2006-07-20 US claimed
US-20250319214-A1 A NOVEL KIT FOR RADIOPHARMACEUTICAL PREPARATION OF A RADIOMETAL LABELED CHELATE-FUNCTIONALIZED TARGETING CONJUGATE Life Molecular Imaging Ltd. (GB) 2025-10-16 US disclosed
EP-2252628-B1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES UNIVERSITÄTSSPITAL BASEL (CH) 2016-12-28 EP disclosed
US-20150265733-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES Universität Bern (CH) 2015-09-24 US disclosed
US-9035023-B2 Bombesin analog peptide antagonist conjugates Piramal Imaging, SA (CH) 2015-05-19 US disclosed
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 US disclosed
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
EP-2100900-A1 Bombesin analog peptide antagonist conjugates Universitätsspital Basel (CH) 2009-09-16 EP disclosed
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 US disclosed
US-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof DANHO WALEED 2006-07-20 US disclosed
US-6844318-B2 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-01-18 US disclosed
US-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US 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 (4 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-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof NPY2R, NPY1R, NPY4R SIGMAR1 215/4885GABRR1 331/4885OPRD1 120/4885
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BRS3, VIP, GRPR SIGMAR1 1327/4885GABRR1 672/4885OPRD1 949/4885
US-20150265733-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES BRS3, VIP, GRPR SIGMAR1 1153/4885GABRR1 569/4885OPRD1 699/4885
US-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use DNPEP, TMPRSS15, ENPEP SIGMAR1 4271/4885GABRR1 3396/4885OPRD1 4410/4885

“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.