SCHEMBL599185

SCHEMBL599185

Cc1ccn(-c2ccc(OCCN3CCCCC3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
HRH1 P35367 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
ESR1 P03372 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PSMB1 P20618 6/20 0.54
PSMB5 P28074 6/20 0.54
PSMB2 P49721 4/20 0.54
MAPK14 Q16539 1/20 0.53

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
SCHEMBL1875739 0.94 HRH3 (0.63) HRH3HRH1HRH4MAPK14SIGMAR1
SCHEMBL1880183 0.92 HRH3 (0.61) HRH3HRH1HRH4MAPK14SIGMAR1
SCHEMBL1876164 0.81 HRH3 (0.61) HRH3HRH1ALDH1A1CYP1A2CYP3A4
SCHEMBL10029396 0.79 KDM4E (0.53) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL598706 0.78 SIGMAR1 (0.60) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL597565 0.77 PSMB1 (0.55) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL12035585 0.77 HRH3 (0.73) HRH3KDM4EPSMB1PSMB5PSMB2
SCHEMBL82435 0.77 HRH3 (0.73) HRH3KDM4EPSMB1PSMB5PSMB2
SCHEMBL16201990 0.75 PKM (0.54) KDM4EALDH1A1TP53MAPT
SCHEMBL26968914 0.75 LTA4H (0.65) HRH3KDM4EALDH1A1PSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
WO-2008019302-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
WO-2008019302-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 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 (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-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTB4R2, LTC4S, LTA4H HRH3 28/4885HRH1 24/4885HRH4 7/4885

“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.