SCHEMBL2493041

SCHEMBL2493041

CC[C@H](CO)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 2/20 0.39
IDO1 P14902 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
SLC6A2 P23975 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
FDPS P14324 2/20 0.30

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
SCHEMBL2493047 1.00 SLC6A3 (0.39) SLC6A3SLC6A4IDO1MAPTATM
SCHEMBL24575969 0.98 SLC6A3 (0.38) SLC6A3SLC6A4IDO1MAPTATM
SCHEMBL3307691 0.84 SLC6A4 (0.40) SLC6A3SLC6A4KDM4EALDH1A1TP53
SCHEMBL3309623 0.81 SLC6A4 (0.39) SLC6A3SLC6A4KDM4EALDH1A1TP53
SCHEMBL19334589 0.81 SLC6A4 (0.39) SLC6A3SLC6A4KDM4EALDH1A1TP53
SCHEMBL27715713 0.81 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL3101172 0.79 ALDH1A1 (0.41) IDO1MAPTKDM4EALDH1A1
SCHEMBL6042096 0.79 FDPS (0.38) IDO1FDPS
SCHEMBL11344053 0.79 SLC6A2 (0.35) SLC6A3SLC6A4IDO1SLC6A2KDM4E
Water SCHEMBL28471103 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2KDM4EALDH1A1

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 12 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
EP-2176250-B1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2011-10-26 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-09-30 US disclosed
US-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-09-30 US 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
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
WO-2009010299-A1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-01-22 WO 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 (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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A3 4330/4885SLC6A4 3796/4885IDO1 1423/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A3 4330/4885SLC6A4 3796/4885IDO1 1423/4885
US-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R SLC6A3 320/4885SLC6A4 157/4885IDO1 187/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A3 4330/4885SLC6A4 3796/4885IDO1 1423/4885

“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.