SCHEMBL6578993

SCHEMBL6578993

Cc1ccc([C@@H](CCCI)Oc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.54
SLC6A4 P31645 9/20 0.39
SLC6A2 P23975 6/20 0.39
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 4/20 0.39
DRD2 P14416 3/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
UTS2R Q9UKP6 1/20 0.36
HTR2A P28223 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR1A P08908 2/20 0.34

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
SCHEMBL6577411 1.00 NOS2 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6577414 0.89 NOS2 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6577371 0.89 NOS2 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6579544 0.86 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6575192 0.86 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6576497 0.86 NOS2 (0.68) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6491143 0.82 NOS2 (0.69) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6578859 0.76 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6576444 0.76 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6579339 0.75 NOS2 (0.68) NOS2SLC6A4SLC6A2CYP2D6KCNH2

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 2202/4885SLC6A2 2667/4885

“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.