SCHEMBL5174529

SCHEMBL5174529

O=C(Nc1ccccc1)Oc1ccc(CCCN2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.63
▸ CCR3 P51677 3/20 0.51
▸ DRD2 P14416 4/20 0.50
▸ FAAH O00519 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ KCNA3 P22001 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ CCR1 P32246 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTR1A P08908 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
SCHEMBL5175575 0.94 SIGMAR1 (0.53) SIGMAR1CCR3DRD2FAAHRAB9A
SCHEMBL5174629 0.88 MEN1 (0.57) SIGMAR1DRD2FAAHALDH1A1MEN1
SCHEMBL5175324 0.85 KCNA5 (0.54) FAAHALDH1A1MEN1LMNAKMT2A
SCHEMBL5175858 0.85 FAAH (0.56) SIGMAR1FAAHRAB9AALDH1A1MEN1
SCHEMBL5175935 0.80 ALDH1A1 (0.51) FAAHALDH1A1MEN1LMNAKMT2A
SCHEMBL8096481 0.79 SIGMAR1 (1.00) SIGMAR1CCR3DRD2KCNA3HTR1A
SCHEMBL5174595 0.79 KCNA5 (0.60) CCR3DRD2ALDH1A1MEN1LMNA
SCHEMBL5175362 0.79 MEN1 (0.55) FAAHALDH1A1MEN1LMNAKMT2A
SCHEMBL5175980 0.79 RAB9A (0.59) SIGMAR1DRD2FAAHRAB9AALDH1A1
SCHEMBL5174741 0.78 RAB9A (0.58) SIGMAR1DRD2FAAHRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3624/4885CCR3 1254/4885DRD2 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