SCHEMBL6504011

SCHEMBL6504011

OCCNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NOS2 P35228 3/20 0.47
SLC6A2 P23975 10/20 0.46
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 9/20 0.46
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD2 P14416 1/20 0.45
KCNE1 P15382 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45

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
Fumaric Acid SCHEMBL6497311 0.92 NOS2 (0.56) ALDH1A1LMNANOS2SLC6A2SLC6A4
Fumaric Acid SCHEMBL6497318 0.92 NOS2 (0.56) ALDH1A1LMNANOS2SLC6A2SLC6A4
SCHEMBL6492744 0.85 NOS2 (0.66) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6493970 0.85 NOS2 (0.66) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6498618 0.85 NOS2 (0.66) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6497314 0.84 NOS2 (0.47) ALDH1A1LMNANOS2SLC6A2SLC6A4
SCHEMBL6493327 0.82 NOS2 (0.47) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6499945 0.82 NOS2 (0.47) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6501651 0.81 NOS2 (0.46) NOS2SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL6490105 0.81 NOS2 (0.46) NOS2SLC6A2SLC6A4SLC6A3MLNR

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
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 ALDH1A1 374/4885LMNA 1993/4885NOS2 3/4885

“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.