SCHEMBL5175575

SCHEMBL5175575

O=C(Nc1ccccc1)Oc1ccc(CCN2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ DRD2 P14416 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ OPRL1 P41146 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL5174529 0.94 SIGMAR1 (0.63) SIGMAR1RAB9ADRD2HTR1AALDH1A1
SCHEMBL5175324 0.87 KCNA5 (0.54) ALDH1A1FAAH
SCHEMBL5174629 0.86 MEN1 (0.57) SIGMAR1DRD2HTR1AALDH1A1EPHX2
SCHEMBL5175980 0.85 RAB9A (0.59) SIGMAR1RAB9ADRD2HTR1AALDH1A1
SCHEMBL5174638 0.84 RAB9A (0.58) SIGMAR1RAB9ADRD2HTR1AOPRM1
SCHEMBL5174741 0.84 RAB9A (0.58) SIGMAR1RAB9ADRD2HTR1AOPRM1
SCHEMBL5175935 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EGAAEPHX2FAAH
SCHEMBL5175918 0.81 RAB9A (0.54) SIGMAR1RAB9ADRD2HTR1AOPRM1
SCHEMBL5174595 0.81 KCNA5 (0.60) DRD2HTR1AOPRM1ALDH1A1OPRL1
SCHEMBL5175362 0.81 MEN1 (0.55) ALDH1A1FAAH

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
CN-101189012-A Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 — — CN claimed
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 — — EP claimed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — WO claimed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — US claimed
CN-101189012-A Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 — — CN disclosed
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 — — EP disclosed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — WO disclosed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S SIGMAR1 3624/4885RAB9A 4254/4885DRD2 4672/4885

“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.

Send feedback