SCHEMBL2832006

SCHEMBL2832006

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nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
ADAM17 P78536 1/20 0.37
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
TP53 P04637 1/20 0.32

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
SCHEMBL2832987 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL283357 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL713247 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL11339365 0.88 TSHR (0.56) ALDH1A1TSHRADAM17NFKB1TP53
SCHEMBL16356392 0.88 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL18902855 0.86 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL7259228 0.86 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL21631865 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL8284890 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL12000465 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO

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
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
CN-101952267-A Cyclopropylamine Derivatives ABBOTT LAB 2011-01-19 CN disclosed
EP-2231631-A1 CYCLOPROPYL AMINE DERIVATIVES Abbott Laboratories (US) 2010-09-29 EP disclosed
CN-101472887-A Cyclopropylamine derivatives as modulators of the histamine H3 receptor ABBOTT LAB (US) 2009-07-01 CN 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
EP-0433188-A1 Possibly thermotropic polymolecular associations based on hydrogen bonded monomers, process for their preparation and monomers for carrying out this process RHONE-POULENC CHIMIE (FR) 1991-06-19 EP 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 ALDH1A1 852/4885TSHR 1156/4885ADAM17 2345/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 ALDH1A1 1397/4885TSHR 139/4885ADAM17 4347/4885

“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.