SCHEMBL7899995

SCHEMBL7899995

c1ccc(CCN2CCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.53
SIGMAR1 Q99720 6/20 0.52
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR3A P46098 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL9435583 0.93 SIGMAR1 (0.58) SLC6A3SIGMAR1HTR1ADRD2HRH3
SCHEMBL14423336 0.81 SIGMAR1 (0.55) SIGMAR1HRH3
SCHEMBL18768681 0.76 SIGMAR1 (0.53) SLC6A3SIGMAR1
SCHEMBL8668531 0.75 SLC6A3 (0.70) SLC6A3SIGMAR1HTR1ADRD2HRH3
SCHEMBL6272610 0.74 SIGMAR1 (0.52) SLC6A3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL7983455 0.74 SLC6A3 (0.68) SLC6A3SIGMAR1HTR1ADRD2HRH3
SCHEMBL41969 0.73 SIGMAR1 (0.79) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL3963041 0.73 SIGMAR1 (0.79) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL23010613 0.72 NISCH (0.41) SIGMAR1HRH3MAOA
Hydrochloric Acid SCHEMBL16739273 0.72 SIGMAR1 (0.77) SLC6A3SIGMAR1HTR1ADRD2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 SLC6A3 2860/4885SIGMAR1 1978/4885HTR1A 1355/4885

“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.