SCHEMBL6504005

SCHEMBL6504005

CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 1.00
SLC6A2 P23975 12/20 1.00
CYP2D6 P10635 12/20 1.00
NOS2 P35228 6/20 1.00
KCNH2 Q12809 5/20 0.71
KMT2A Q03164 6/20 0.62
CYP3A4 P08684 6/20 0.62
MEN1 O00255 5/20 0.62
LMNA P02545 5/20 0.62
SLC6A3 Q01959 5/20 0.62
CYP1A2 P05177 5/20 0.62
HTR2C P28335 4/20 0.62
TSHR P16473 4/20 0.62
CYP2C19 P33261 3/20 0.62
CHRM1 P11229 3/20 0.62
ADRA2B P18089 3/20 0.62
HTR2A P28223 3/20 0.62
HRH1 P35367 3/20 0.62
OPRM1 P35372 3/20 0.62
OPRK1 P41145 3/20 0.62

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
Hydrochloric Acid SCHEMBL6502994 0.99 SLC6A2 (1.00) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6503738 0.85 SLC6A2 (0.74) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6500144 0.84 SLC6A2 (0.77) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6502159 0.83 NOS2 (0.72) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6502153 0.83 NOS2 (0.72) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6504695 0.83 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL6493450 0.83 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL20435479 0.83 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6NOS2KCNH2
Hydrochloric Acid SCHEMBL6502850 0.83 SLC6A2 (0.77) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL8022559 0.82 SLC6A2 (0.73) SLC6A4SLC6A2CYP2D6NOS2KCNH2

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-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 SLC6A4 2468/4885SLC6A2 1776/4885CYP2D6 49/4885

“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.