SCHEMBL2486520

SCHEMBL2486520

CC(C)(C)OC(=O)[C@@H](O)C1CCN1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A3 Q01959 4/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8792638 1.00 CHRM2 (0.32) CHRM2CHRM1CHRM3SLC6A3SLC6A2
SCHEMBL2486522 1.00 CHRM2 (0.32) CHRM2CHRM1CHRM3SLC6A3SLC6A2
SCHEMBL4966930 0.91 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL990458 0.91 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8792121 0.91 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Pyridine SCHEMBL8555633 0.87 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL28736377 0.83
SCHEMBL3905650 0.77 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL412203 0.76 CPN1 (0.36) CHRM2CHRM1CHRM3SLC6A3SLC6A2
SCHEMBL589885 0.76 CHRM2 (0.35) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176250-B1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2011-10-26 EP disclosed
US-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-09-30 US disclosed
EP-2176250-A1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-04-21 EP disclosed
WO-2009010299-A1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-01-22 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-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R CHRM2 358/4885CHRM1 352/4885CHRM3 184/4885

“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.