SCHEMBL6576497

SCHEMBL6576497

Clc1ccc(Cl)c(O[C@H](CCCI)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.68
SLC6A4 P31645 10/20 0.51
CYP2D6 P10635 5/20 0.51
SLC6A2 P23975 5/20 0.51
KCNH2 Q12809 2/20 0.48
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL6491143 0.93 NOS2 (0.69) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579534 0.89 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579339 0.89 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6575192 0.86 NOS2 (0.51) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6578993 0.86 NOS2 (0.54) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6577411 0.86 NOS2 (0.54) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579544 0.86 NOS2 (0.51) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6498779 0.85 NOS2 (0.71) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6575194 0.83 NOS2 (0.76) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6492848 0.81 NOS2 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743939-B2 NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE ASTRAZENECA AB (SE) 2004-06-01 US disclosed
EP-1263714-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030105161-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-06-05 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-20030105161-A1 Novel phenylheteroalkylamine derivatives NOS1, CYP1A1, NOS2 NOS2 3/4885SLC6A4 2202/4885CYP2D6 65/4885

“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.