SCHEMBL814567

SCHEMBL814567

O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM1A O60341 8/20 0.45
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MAOB P27338 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL247915 1.00 SLC9A1 (0.48) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL7655989 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248385 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272394 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248384 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272446 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL15196464 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL12915852 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL29488083 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL22654465 0.85 KDM1A (0.58) SLC9A1KDM1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183412-B2 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2012-05-22 US claimed
US-20110190520-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2011-08-04 US claimed
US-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2006-11-16 US claimed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20100004444-A1 Novel Triazolo pyrimidine compounds ASTRAZENECA AB (SE) 2010-01-07 US disclosed
US-20080234481-A1 Novel triazolo pyrimidine compounds ASTRAZENECA AB (SE) 2008-09-25 US disclosed
US-7381828-B2 Triazolo pyrimidine compounds AstraZēneca AB (SE) 2008-06-03 US disclosed
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2008-03-20 US disclosed
EP-1299390-B1 PYRIMIDINE COMPOUNDS AND THEIR USE IN THE PREPARATION OF A TRIAZOLO -PYRIMIDINE CARBA NUCLEOSIDE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20070049755-A1 Novel triazolo pyrimidine compounds ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2006-11-16 US disclosed
US-7122695-B2 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20060041132-A1 Novel triazolo pyrimidine compounds ASTRAZENECA AB (SE) 2006-02-23 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 (9 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 SLC9A1 226/4885HTR2A 1881/4885HTR2C 2143/4885
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 SLC9A1 4551/4885HTR2A 302/4885HTR2C 118/4885
US-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 SLC9A1 4322/4885HTR2A 3833/4885HTR2C 4039/4885
US-20070049755-A1 Novel triazolo pyrimidine compounds TYMS, TYMP, DPYD SLC9A1 4604/4885HTR2A 2776/4885HTR2C 2090/4885
US-20080234481-A1 Novel triazolo pyrimidine compounds TYMS, TYMP, DPYD SLC9A1 4604/4885HTR2A 2776/4885HTR2C 2090/4885
US-20060041132-A1 Novel triazolo pyrimidine compounds TYMS, TYMP, DPYD SLC9A1 4604/4885HTR2A 2776/4885HTR2C 2090/4885
US-20110190520-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 SLC9A1 4322/4885HTR2A 3833/4885HTR2C 4039/4885
US-20100004444-A1 Novel Triazolo pyrimidine compounds TYMS, TYMP, DPYD SLC9A1 4604/4885HTR2A 2776/4885HTR2C 2090/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC9A1 226/4885HTR2A 1881/4885HTR2C 2143/4885

“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.