SCHEMBL80085

SCHEMBL80085

BrCCCc1ccc2c(c1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
PRKCI P41743 1/20 0.42
CHRM1 P11229 3/20 0.41
CHRM5 P08912 2/20 0.41
FAAH O00519 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
DYRK1A Q13627 1/20 0.40
KCNH2 Q12809 2/20 0.39
ADRB2 P07550 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 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
SCHEMBL29997560 0.90 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL1317917 0.90 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL14015076 0.83 RAB9A (0.44) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL5791799 0.83 PRKCI (0.46) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL13945191 0.83 RAB9A (0.43) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL292510 0.83 RAB9A (0.43) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL80222 0.83 PRKCI (0.46) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL4688762 0.82 PRKCI (0.47) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL30665224 0.82 PRKCI (0.47) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL294204 0.82 RAB9A (0.45) RAB9AKDM1AMAOAMAOBNPC1

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C RAB9A 3144/4885KDM1A 1349/4885MAOA 228/4885

“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.