SCHEMBL13473846

SCHEMBL13473846

CB(O)N1CC[C@@H](c2ccccc2)[C@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ CHRM2 P08172 5/20 0.42
▸ CHRM4 P08173 5/20 0.42
▸ CHRM5 P08912 5/20 0.42
▸ CHRM1 P11229 5/20 0.42
▸ CHRM3 P20309 5/20 0.42
▸ CHRNA7 P36544 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL14371524 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL12592372 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL12592377 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL14065595 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL14065597 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL13041171 0.87 MEN1 (0.42) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL13671200 0.87 MEN1 (0.42) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL13473844 0.83 SLC6A3 (0.53) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL12592383 0.83 SLC6A3 (0.53) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL13473847 0.83 SLC6A3 (0.53) SLC6A2SLC6A4SLC6A3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 — — US disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 — — US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 — — US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 — — US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 — — US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — 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 (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-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC3R SLC6A2 254/4885SLC6A4 123/4885SLC6A3 196/4885
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R SLC6A2 373/4885SLC6A4 126/4885SLC6A3 281/4885
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R SLC6A2 254/4885SLC6A4 123/4885SLC6A3 196/4885

“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.

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