SCHEMBL29992046

SCHEMBL29992046

O[C@H]1C[C@@H](c2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ MAPK1 P28482 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ MAP3K12 Q12852 4/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ IL1B P01584 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL29992609 0.83 NOS3 (0.49) NOS3NOS2MAPK1ADRB1CHRNB2
SCHEMBL2338512 0.82 NOS3 (0.50) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL28284245 0.79 NOS3 (0.47) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL3782541 0.78 CHRNB2 (0.51) NOS3NOS2MAPK1ADRB1CHRNB2
SCHEMBL31061341 0.78 CHRNB2 (0.51) NOS3NOS2MAPK1ADRB1CHRNB2
SCHEMBL28282678 0.78 NOS3 (0.46) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL29991850 0.77 MAP3K12 (0.37) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL29992344 0.77 NOS3 (0.44) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL29991973 0.76 NOS3 (0.38) NOS3NOS2MAPK1ADRB1CHRNB2
SCHEMBL7074219 0.75 MAPK1 (0.58) NOS3NOS2MAPK1ADRB1MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 — — 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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 NOS3 2789/4885NOS2 2448/4885MAPK1 2425/4885

“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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