SCHEMBL2828018

SCHEMBL2828018

C[C@H]1CCCN1OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
BLM P54132 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2831475 1.00 LMNA (0.33) LMNAKDM4EBLMALOX15TSHR
SCHEMBL2807972 0.79 TSHR (0.35) LMNAKDM4EBLMALOX15TSHR
SCHEMBL489224 0.74 LMNA (0.34) LMNAKDM4E
SCHEMBL6392087 0.74 LMNA (0.34) LMNAKDM4E
SCHEMBL120892 0.74 LMNA (0.34) LMNAKDM4E
SCHEMBL489632 0.69 GAA (0.39) LMNAKDM4ETSHR
SCHEMBL27929797 0.66 ACHE (0.34) LMNAKDM4ETSHR
SCHEMBL261002 0.66 GAA (0.32)
SCHEMBL27892417 0.62 ENO1 (0.34)
SCHEMBL13017409 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 US disclosed
EP-2231631-A1 CYCLOPROPYL AMINE DERIVATIVES Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO disclosed
EP-2049472-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS Abbott Laboratories (US) 2009-04-22 EP disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US disclosed
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 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 (2 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-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT LMNA 4566/4885KDM4E 1039/4885BLM 4750/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 LMNA 3484/4885KDM4E 2631/4885BLM 4353/4885

“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.