SCHEMBL5788700

SCHEMBL5788700

Fc1ccc(-c2nc(NCC3CCNC3)nc3ccccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRIM58 Q8NG06 1/20 0.45
▸ ACP1 P24666 13/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ HTR6 P50406 2/20 0.40

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
SCHEMBL5785239 0.80 CHEK2 (0.47) CHEK1CHEK2
SCHEMBL6336337 0.76 SCN9A (0.48) NTRK1
SCHEMBL5786285 0.74 MAPK14 (0.40) ACP1CHEK1CHEK2NTRK1NTRK3
SCHEMBL6328906 0.74 SCN9A (0.47) NTRK1
SCHEMBL5803691 0.74 CHEK1 (0.45) CDK7CCNHMNAT1CHEK1CHEK2
SCHEMBL5787710 0.74 CHEK1 (0.45) CDK7CCNHMNAT1CHEK1CHEK2
SCHEMBL5786413 0.74 CHEK1 (0.45) CDK7CCNHMNAT1CHEK1CHEK2
SCHEMBL5788698 0.73 SLC6A2 (0.44) ACP1CHEK1CHEK2
SCHEMBL5788662 0.71 CHEK2 (0.54) CDK7CCNHMNAT1CHEK1CHEK2
SCHEMBL5788660 0.71 CHEK2 (0.54) CDK7CCNHMNAT1CHEK1CHEK2

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
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 — — EP claimed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 — — WO claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — US claimed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 — — EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 — — WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 TRIM58 4025/4885ACP1 4852/4885CDK7 2734/4885

“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.

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