SCHEMBL2830756

SCHEMBL2830756

CON(C)C(=O)C=Cc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP2D6 P10635 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
TLR9 Q9NR96 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL2830755 1.00 MAPT (0.54) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL16431497 0.85 MAPT (0.57) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL1016905 0.85 MAPT (0.57) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL9302644 0.84 TRPM8 (0.58) MAPTMAOBMAOAKMT2ACYP1B1
SCHEMBL9302651 0.84 TRPM8 (0.58) MAPTMAOBMAOAKMT2ACYP1B1
SCHEMBL3398985 0.82 HSD11B1 (0.58) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL5677328 0.82 RAB9A (0.58) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL6254356 0.82 F3 (0.68) MAPTMAOBMAOALMNATRPM8
SCHEMBL5677325 0.82 RAB9A (0.58) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL3398978 0.82 HSD11B1 (0.58) MAPTMAOBMAOAMEN1KMT2A

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-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPT 178/4885MAOB 148/4885MAOA 103/4885
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 MAPT 2573/4885MAOB 4828/4885MAOA 4862/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 MAPT 2179/4885MAOB 147/4885MAOA 231/4885

“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.