SCHEMBL2826045

SCHEMBL2826045

OCC1CC1c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.66
HTR2B P41595 13/20 0.66
KDM1A O60341 5/20 0.52
MAOB P27338 4/20 0.52
KCNH2 Q12809 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
KDM1B Q8NB78 1/20 0.52
HTR2A P28223 9/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 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
SCHEMBL2826042 1.00 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL4893904 1.00 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2830644 0.84 HTR2C (0.61) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2829240 0.84 HTR2C (0.61) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL16585035 0.79 HTR2C (0.66) HTR2CHTR2BKDM1AHTR2ASLC6A2
SCHEMBL16569276 0.79 HTR2C (0.41) HTR2CHTR2BMAOBHTR2ASLC6A2
SCHEMBL19262111 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL17080568 0.79 HTR2C (0.41) HTR2CHTR2BMAOBHTR2ASLC6A2
SCHEMBL22334928 0.79 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL13591154 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
EP-2822931-B1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC (US) 2017-05-03 EP disclosed
US-9505728-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2016-11-29 US disclosed
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US disclosed
US-9186353-B2 Treatment of osteoarthritis pain ABBVIE INC. (US) 2015-11-17 US disclosed
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
US-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-19 US disclosed
CN-104398516-A CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB 2015-03-11 CN disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 EP 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
EP-1737824-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 EP disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005103032-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 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 (7 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 HTR2C 13/4885HTR2B 22/4885KDM1A 669/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 HTR2C 1784/4885HTR2B 997/4885KDM1A 2361/4885
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 HTR2C 243/4885HTR2B 255/4885KDM1A 514/4885
US-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD HTR2C 2039/4885HTR2B 2372/4885KDM1A 2573/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 HTR2C 213/4885HTR2B 121/4885KDM1A 1513/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 HTR2C 1691/4885HTR2B 1058/4885KDM1A 2609/4885
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HTR2C 301/4885HTR2B 250/4885KDM1A 1233/4885

“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.