SCHEMBL6546455

SCHEMBL6546455

CN1CCN([CH]c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
CHKA P35790 1/20 0.43
MC4R P32245 1/20 0.41
CYP1A2 P05177 1/20 0.41
EPHX2 P34913 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CCR3 P51677 2/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL1854513 0.77 SIGMAR1 (0.52) HRH4MC4RHTR2AHTR2CLMNA
SCHEMBL2056308 0.72 SIGMAR1 (0.49) CHKACYP1A2HTR2AHTR2CHIF1A
SCHEMBL2056173 0.72 ALDH1A1 (0.57) HRH4HTR2AHTR2CLMNAMAPT
SCHEMBL12359551 0.68 EPHX2 (0.50) HRH4CHKAMC4REPHX2HTR2A
SCHEMBL2056183 0.68 CHKA (0.80) CHKAMC4RHIF1AEPAS1LMNA
SCHEMBL17144506 0.67 CHKA (0.57) HRH4CHKAHTR2AHTR2CLMNA
SCHEMBL11799035 0.66 HIF1A (0.43) CYP1A2HIF1AEPAS1MAOBADORA2A
SCHEMBL26970150 0.66 ALDH1A1 (0.70) EPHX2HTR2AHTR2CLMNA
SCHEMBL13504003 0.66 EPHX2 (0.79) EPHX2
SCHEMBL6884365 0.66 HTR2C (0.58) HTR2AHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP disclosed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 HRH4 7/4885CHKA 460/4885MC4R 4586/4885

“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.