SCHEMBL6078323

SCHEMBL6078323

CNCC[C@@H](Oc1nc(C)c(F)cc1C#N)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SLC6A4 P31645 9/20 0.38
NOS2 P35228 9/20 0.38
CYP2D6 P10635 8/20 0.38
SLC6A2 P23975 8/20 0.38
GAA P10253 1/20 0.33
KCNH2 Q12809 2/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MBOAT4 Q96T53 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6078329 1.00 LMNA (0.38) LMNASLC6A4NOS2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6078597 0.99 SLC6A4 (0.39) LMNASLC6A4NOS2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6078592 0.99 SLC6A4 (0.39) LMNASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL6078505 0.86 SLC6A4 (0.36) LMNASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL6078498 0.86 SLC6A4 (0.36) LMNASLC6A4NOS2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6077462 0.85 SLC6A4 (0.37) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6077469 0.85 SLC6A4 (0.37) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6079031 0.81 SLC6A4 (0.41) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6078657 0.80 SLC6A4 (0.42) LMNASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL6079478 0.78 SLC6A4 (0.50) LMNASLC6A4NOS2CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US claimed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US claimed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO 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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 LMNA 3092/4885SLC6A4 1543/4885NOS2 2/4885

“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.