SCHEMBL2881069

SCHEMBL2881069

Cc1ccc(Oc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.64
POLB P06746 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 5/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTR7 P34969 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL12385909 0.91 DRD4 (0.77) DRD4POLBLMNAMAPTNPSR1
SCHEMBL2876304 0.89 SIGMAR1 (0.72) DRD4LMNAMAPTNPSR1ALDH1A1
SCHEMBL7604485 0.85 DRD4 (0.77) DRD4POLBLMNAMAPTNPSR1
SCHEMBL11923385 0.84 SIGMAR1 (0.79) DRD4LMNAMAPTNPSR1ALDH1A1
SCHEMBL6029911 0.83 ALDH1A1 (0.67) DRD4POLBLMNAMAPTNPSR1
Hydrochloric Acid SCHEMBL11213408 0.82 SIGMAR1 (0.77) DRD4LMNAMAPTNPSR1ALDH1A1
SCHEMBL6030554 0.82 SIGMAR1 (0.62) DRD4POLBMAPTALDH1A1KDM4E
SCHEMBL2881058 0.82 PPARD (0.63) DRD4LMNAMAPTSIGMAR1MAPK1
Bromide SCHEMBL6579961 0.81 SIGMAR1 (0.60) DRD4POLBMAPTALDH1A1KDM4E
SCHEMBL8729399 0.80 SIGMAR1 (0.67) LMNAMAPTALDH1A1KDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
EP-1968961-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-17 EP disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 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-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R DRD4 3195/4885POLB 3885/4885LMNA 1768/4885

“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.